2-amino-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide

C13H14N4O — CID 55069299

IUPAC2-amino-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1N)c1ccncc1
InChIInChI=1S/C13H14N4O/c1-9(10-4-7-15-8-5-10)17-13(18)11-3-2-6-16-12(11)14/h2-9H,1H3,(H2,14,16)(H,17,18)
InChIKeyVAAHMXPZGIXUMP-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.55
Rot. Bonds3

About 2-amino-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide

2-amino-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide (PubChem CID 55069299) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-amino-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
PubChem CID55069299
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name2-amino-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cccnc1N)c1ccncc1
InChIInChI=1S/C13H14N4O/c1-9(10-4-7-15-8-5-10)17-13(18)11-3-2-6-16-12(11)14/h2-9H,1H3,(H2,14,16)(H,17,18)
InChIKeyVAAHMXPZGIXUMP-UHFFFAOYSA-N
XLogP1.55
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 94338730
2-amino-N-[1-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 62073819
2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106283558
2,3-dihydroxy-N-(1-pyridin-4-ylethyl)benzamide
CID 114343947
2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 40585288
N-(1-pyridin-4-ylethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 86925855
2-propan-2-ylsulfanyl-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 95375385
2-chloro-N-[1-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide
CID 17328691
2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 7657098
2-amino-N-tert-butylpyridine-3-carboxamide
CID 59768561
4-amino-2-fluoro-N-[(1S)-1-pyridin-4-ylethyl]benzamide
CID 107794749
5-amino-2,4-difluoro-N-(1-pyridin-4-ylethyl)benzamide
CID 61094421

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide (CID 55069299) is 2-amino-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide is CC(NC(=O)c1cccnc1N)c1ccncc1.
What is the InChIKey of 2-amino-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide?
The InChIKey is VAAHMXPZGIXUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-9(10-4-7-15-8-5-10)17-13(18)11-3-2-6-16-12(11)14/h2-9H,1H3,(H2,14,16)(H,17,18).
What are the key properties of 2-amino-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide?
2-amino-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide has a molecular weight of 242.28 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-pyridin-4-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 55069299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).