4-amino-3-(1-aminoethyl)-N-(3-methyl-1-pyridin-2-ylbutyl)benzamide

C19H26N4O — CID 134567033

IUPAC4-amino-3-(1-aminoethyl)-N-(3-methyl-1-pyridin-2-ylbutyl)benzamide
SMILESCC(C)CC(NC(=O)c1ccc(N)c(C(C)N)c1)c1ccccn1
InChIInChI=1S/C19H26N4O/c1-12(2)10-18(17-6-4-5-9-22-17)23-19(24)14-7-8-16(21)15(11-14)13(3)20/h4-9,11-13,18H,10,20-21H2,1-3H3,(H,23,24)
InChIKeyNHOIASVBVIDCBL-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.20
Rot. Bonds6

About 4-amino-3-(1-aminoethyl)-N-(3-methyl-1-pyridin-2-ylbutyl)benzamide

4-amino-3-(1-aminoethyl)-N-(3-methyl-1-pyridin-2-ylbutyl)benzamide (PubChem CID 134567033) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-amino-3-(1-aminoethyl)-N-(3-methyl-1-pyridin-2-ylbutyl)benzamide.

Molecular Properties

Compound Name4-amino-3-(1-aminoethyl)-N-(3-methyl-1-pyridin-2-ylbutyl)benzamide
PubChem CID134567033
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name4-amino-3-(1-aminoethyl)-N-(3-methyl-1-pyridin-2-ylbutyl)benzamide
SMILESCC(C)CC(NC(=O)c1ccc(N)c(C(C)N)c1)c1ccccn1
InChIInChI=1S/C19H26N4O/c1-12(2)10-18(17-6-4-5-9-22-17)23-19(24)14-7-8-16(21)15(11-14)13(3)20/h4-9,11-13,18H,10,20-21H2,1-3H3,(H,23,24)
InChIKeyNHOIASVBVIDCBL-UHFFFAOYSA-N
XLogP3.20
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzenecarboximidoyl]-N-(3-methyl-1-pyridin-2-ylbutyl)benzamide
CID 123291567
4-amino-3-chloro-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81407020
N-(3-hydroxy-1-pyridin-2-ylpropyl)-5-propan-2-ylnaphthalene-2-carboxamide
CID 176698784
3-amino-4-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 43524264
3-amino-4-bromo-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 107813259
ethyl 4-[(3-methyl-1-pyridin-2-ylbutyl)carbamoylamino]benzoate
CID 171679582
4-amino-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 81407597
3-[4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)phenyl]-N-(3-methyl-1-pyridin-2-ylbutyl)-1H-indazole-5-carboxamide
CID 123524250
4-amino-N-(3-methyl-1-phenylbutyl)benzamide
CID 43707132
(2S)-1-[(3-methyl-1-pyridin-2-ylbutyl)amino]propan-2-ol
CID 103906509
3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide
CID 133160183
3-amino-N-(3-methyl-1-phenylbutyl)benzamide;hydrochloride
CID 119689331

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1-aminoethyl)-N-(3-methyl-1-pyridin-2-ylbutyl)benzamide?
The IUPAC name of 4-amino-3-(1-aminoethyl)-N-(3-methyl-1-pyridin-2-ylbutyl)benzamide (CID 134567033) is 4-amino-3-(1-aminoethyl)-N-(3-methyl-1-pyridin-2-ylbutyl)benzamide.
What is the SMILES notation for 4-amino-3-(1-aminoethyl)-N-(3-methyl-1-pyridin-2-ylbutyl)benzamide?
The canonical SMILES for 4-amino-3-(1-aminoethyl)-N-(3-methyl-1-pyridin-2-ylbutyl)benzamide is CC(C)CC(NC(=O)c1ccc(N)c(C(C)N)c1)c1ccccn1.
What is the InChIKey of 4-amino-3-(1-aminoethyl)-N-(3-methyl-1-pyridin-2-ylbutyl)benzamide?
The InChIKey is NHOIASVBVIDCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-12(2)10-18(17-6-4-5-9-22-17)23-19(24)14-7-8-16(21)15(11-14)13(3)20/h4-9,11-13,18H,10,20-21H2,1-3H3,(H,23,24).
What are the key properties of 4-amino-3-(1-aminoethyl)-N-(3-methyl-1-pyridin-2-ylbutyl)benzamide?
4-amino-3-(1-aminoethyl)-N-(3-methyl-1-pyridin-2-ylbutyl)benzamide has a molecular weight of 326.44 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1-aminoethyl)-N-(3-methyl-1-pyridin-2-ylbutyl)benzamide is sourced from PubChem (CID 134567033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).