3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-morpholin-4-ylethyl)furo[2,3-c]pyridine-2-carboxamide

C23H25N5O3 — CID 89376347

IUPAC3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-morpholin-4-ylethyl)furo[2,3-c]pyridine-2-carboxamide
SMILES[H]/N=C1\CCc2cc(Nc3c(C(=O)NCCN4CCOCC4)oc4cnccc34)ccc21
InChIInChI=1S/C23H25N5O3/c24-19-4-1-15-13-16(2-3-17(15)19)27-21-18-5-6-25-14-20(18)31-22(21)23(29)26-7-8-28-9-11-30-12-10-28/h2-3,5-6,13-14,24,27H,1,4,7-12H2,(H,26,29)/b24-19+
InChIKeyBQBAXWAAUYEWON-LYBHJNIJSA-N
MW419.49 g/mol
LogP2.95
Rot. Bonds6

About 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-morpholin-4-ylethyl)furo[2,3-c]pyridine-2-carboxamide

3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-morpholin-4-ylethyl)furo[2,3-c]pyridine-2-carboxamide (PubChem CID 89376347) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-morpholin-4-ylethyl)furo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-morpholin-4-ylethyl)furo[2,3-c]pyridine-2-carboxamide
PubChem CID89376347
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-morpholin-4-ylethyl)furo[2,3-c]pyridine-2-carboxamide
SMILES[H]/N=C1\CCc2cc(Nc3c(C(=O)NCCN4CCOCC4)oc4cnccc34)ccc21
InChIInChI=1S/C23H25N5O3/c24-19-4-1-15-13-16(2-3-17(15)19)27-21-18-5-6-25-14-20(18)31-22(21)23(29)26-7-8-28-9-11-30-12-10-28/h2-3,5-6,13-14,24,27H,1,4,7-12H2,(H,26,29)/b24-19+
InChIKeyBQBAXWAAUYEWON-LYBHJNIJSA-N
XLogP2.95
TPSA103.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-pyridin-3-ylfuro[2,3-c]pyridine-2-carboxamide
CID 89376408
N-[2-(diethylamino)ethyl]-3-[(1-hydroxyimino-2,3-dihydroinden-5-yl)amino]furo[2,3-c]pyridine-2-carboxamide
CID 73226069
[3-[[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]amino]furo[2,3-c]pyridin-2-yl]-(oxan-4-yl)methanone
CID 58826897
[4-[3-[(1-imino-2,3-dihydroinden-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone
CID 89172920
3-[(1-nitroso-2,3-dihydro-1H-inden-5-yl)amino]-N-(pyrimidin-2-ylmethyl)furo[2,3-c]pyridine-2-carboxamide
CID 91137476
5-(3,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109229512
5-N-(3,4-dimethylphenyl)-3-N-(2-morpholin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104222
N-[5-[[2-(1,3-thiazol-2-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 152781797
2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide
CID 110691363
2-imino-N-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyridine-1-carboxamide
CID 144979622
2-(1,3-benzodioxol-5-ylamino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109168006
2-(3,4-dimethylanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109167956

Frequently Asked Questions

What is the IUPAC name of 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-morpholin-4-ylethyl)furo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-morpholin-4-ylethyl)furo[2,3-c]pyridine-2-carboxamide (CID 89376347) is 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-morpholin-4-ylethyl)furo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-morpholin-4-ylethyl)furo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-morpholin-4-ylethyl)furo[2,3-c]pyridine-2-carboxamide is [H]/N=C1\CCc2cc(Nc3c(C(=O)NCCN4CCOCC4)oc4cnccc34)ccc21.
What is the InChIKey of 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-morpholin-4-ylethyl)furo[2,3-c]pyridine-2-carboxamide?
The InChIKey is BQBAXWAAUYEWON-LYBHJNIJSA-N. The full InChI is InChI=1S/C23H25N5O3/c24-19-4-1-15-13-16(2-3-17(15)19)27-21-18-5-6-25-14-20(18)31-22(21)23(29)26-7-8-28-9-11-30-12-10-28/h2-3,5-6,13-14,24,27H,1,4,7-12H2,(H,26,29)/b24-19+.
What are the key properties of 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-morpholin-4-ylethyl)furo[2,3-c]pyridine-2-carboxamide?
3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-morpholin-4-ylethyl)furo[2,3-c]pyridine-2-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 2.95, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-imino-2,3-dihydroinden-5-yl)amino]-N-(2-morpholin-4-ylethyl)furo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 89376347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).