2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-7-ethyl-2,7-diazaspiro[4.4]nonan-1-one

C22H27N5O — CID 146412385

IUPAC2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-7-ethyl-2,7-diazaspiro[4.4]nonan-1-one
SMILES[H]/N=C(\c1ccc(C)nc1)c1cc(N2CCC3(CCN(CC)C3)C2=O)ccc1N
InChIInChI=1S/C22H27N5O/c1-3-26-10-8-22(14-26)9-11-27(21(22)28)17-6-7-19(23)18(12-17)20(24)16-5-4-15(2)25-13-16/h4-7,12-13,24H,3,8-11,14,23H2,1-2H3/b24-20+
InChIKeyWBVANSJBIVASRP-HIXSDJFHSA-N
MW377.49 g/mol
LogP2.84
Rot. Bonds4

About 2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-7-ethyl-2,7-diazaspiro[4.4]nonan-1-one

2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-7-ethyl-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 146412385) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-7-ethyl-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-7-ethyl-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID146412385
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-7-ethyl-2,7-diazaspiro[4.4]nonan-1-one
SMILES[H]/N=C(\c1ccc(C)nc1)c1cc(N2CCC3(CCN(CC)C3)C2=O)ccc1N
InChIInChI=1S/C22H27N5O/c1-3-26-10-8-22(14-26)9-11-27(21(22)28)17-6-7-19(23)18(12-17)20(24)16-5-4-15(2)25-13-16/h4-7,12-13,24H,3,8-11,14,23H2,1-2H3/b24-20+
InChIKeyWBVANSJBIVASRP-HIXSDJFHSA-N
XLogP2.84
TPSA86.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-7-ethyl-2,7-diazaspiro[4.4]nonan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-[2-[2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5R)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide;4-[1-[3-[(5S)-2-[4-amino-3-(2-methylpyridine-4-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]prop-1-en-2-yl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide
CID 160829012
(5S)-2-[4-amino-3-(6-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-7-[2-[4-[4-(1-ethyl-1,2,4-triazol-3-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;molecular hydrogen
CID 145165575
(5S)-2-[4-amino-3-(6-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-7-[2-[4-[4-(1-methylimidazol-4-yl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2,7-diazaspiro[4.4]nonan-1-one;molecular hydrogen
CID 145165601
(5S)-7-[2-[4-[4-[[(Z)-2-aminoethenyl]amino]phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-2-[4-amino-3-(6-propan-2-yloxypyridine-3-carboximidoyl)phenyl]-2,7-diazaspiro[4.4]nonan-1-one;azane;molecular hydrogen
CID 145165658
4-[1-[2-[(5S)-2-[4-amino-3-(4-methylpyridine-3-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide
CID 158629011
4-[1-[2-[(5S)-2-[4-amino-3-(5-fluoropyridine-2-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide
CID 154586826
(5S)-2-[5-amino-6-(6-methylpyridine-3-carboximidoyl)-2-pyridinyl]-7-[2-[4-[5-(1-methyl-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-enyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 158385076
4-[1-[2-[(5S)-2-[4-amino-3-(5-ethynylpyridine-2-carboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide
CID 159884142
4-[1-[2-[(5S)-2-[4-amino-3-(3-cyano-4-methoxybenzenecarboximidoyl)phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide
CID 154586765
4-[4-[2-[(5S)-2-[3-(5-fluoropyridine-2-carboximidoyl)-4-methylphenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]piperazin-1-yl]-N'-(methyliminomethyl)benzenecarboximidamide
CID 157269721
4-[1-[2-[(5S)-2-[4-amino-3-[4-(trifluoromethyl)pyridine-3-carboximidoyl]phenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide
CID 146412294
4-[1-[2-[(5S)-2-[3-(6-cyano-5-methylpyridine-3-carboximidoyl)-4-methylphenyl]-1-oxo-2,7-diazaspiro[4.4]nonan-7-yl]acetyl]-3,6-dihydro-2H-pyridin-4-yl]-N'-(methyliminomethyl)benzenecarboximidamide
CID 158727888

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-7-ethyl-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-7-ethyl-2,7-diazaspiro[4.4]nonan-1-one (CID 146412385) is 2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-7-ethyl-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-7-ethyl-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-7-ethyl-2,7-diazaspiro[4.4]nonan-1-one is [H]/N=C(\c1ccc(C)nc1)c1cc(N2CCC3(CCN(CC)C3)C2=O)ccc1N.
What is the InChIKey of 2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-7-ethyl-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is WBVANSJBIVASRP-HIXSDJFHSA-N. The full InChI is InChI=1S/C22H27N5O/c1-3-26-10-8-22(14-26)9-11-27(21(22)28)17-6-7-19(23)18(12-17)20(24)16-5-4-15(2)25-13-16/h4-7,12-13,24H,3,8-11,14,23H2,1-2H3/b24-20+.
What are the key properties of 2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-7-ethyl-2,7-diazaspiro[4.4]nonan-1-one?
2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-7-ethyl-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 377.49 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-(6-methylpyridine-3-carboximidoyl)phenyl]-7-ethyl-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 146412385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).