6-amino-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-2-carboxamide

C14H16N4O — CID 99931443

IUPAC6-amino-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-2-carboxamide
SMILESCC[C@H](NC(=O)c1cccc(N)n1)c1ccncc1
InChIInChI=1S/C14H16N4O/c1-2-11(10-6-8-16-9-7-10)18-14(19)12-4-3-5-13(15)17-12/h3-9,11H,2H2,1H3,(H2,15,17)(H,18,19)/t11-/m0/s1
InChIKeyDYUJRMISIALCNQ-NSHDSACASA-N
MW256.31 g/mol
LogP1.94
Rot. Bonds4

About 6-amino-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-2-carboxamide

6-amino-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-2-carboxamide (PubChem CID 99931443) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-amino-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-2-carboxamide
PubChem CID99931443
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name6-amino-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-2-carboxamide
SMILESCC[C@H](NC(=O)c1cccc(N)n1)c1ccncc1
InChIInChI=1S/C14H16N4O/c1-2-11(10-6-8-16-9-7-10)18-14(19)12-4-3-5-13(15)17-12/h3-9,11H,2H2,1H3,(H2,15,17)(H,18,19)/t11-/m0/s1
InChIKeyDYUJRMISIALCNQ-NSHDSACASA-N
XLogP1.94
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-phenylpropylcarbamoyl)pyridine-2-carboxylic acid
CID 62304057
2-methyl-N-(1-pyridin-4-ylpropyl)-1,3-thiazole-4-carboxamide
CID 131909576
2-methyl-N-(1-pyridin-4-ylpropyl)benzamide
CID 122142222
N-[(1R)-1-phenylpropyl]-1,6-naphthyridine-2-carboxamide
CID 16731063
3-amino-N-(1-pyridin-4-ylpropyl)propanamide;dihydrochloride
CID 119884915
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559
N-[1-(4-methoxyphenyl)propyl]-6-methylpyridine-2-carboxamide
CID 134001680
4-methoxy-N-(1-pyridin-4-ylpropyl)pyridine-2-carboxamide
CID 91763496
6-amino-N-(1-phenylpropan-2-yl)pyridine-2-carboxamide
CID 63010622
6-chloro-N-[1-(3-chlorophenyl)propyl]pyridine-2-carboxamide
CID 62234195
3-(2-aminophenyl)-N-(1-pyridin-4-ylpropyl)propanamide
CID 120613150
N-[1-(3-chlorophenyl)propyl]-6-fluoropyridine-2-carboxamide
CID 115497155

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-2-carboxamide?
The IUPAC name of 6-amino-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-2-carboxamide (CID 99931443) is 6-amino-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-2-carboxamide is CC[C@H](NC(=O)c1cccc(N)n1)c1ccncc1.
What is the InChIKey of 6-amino-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-2-carboxamide?
The InChIKey is DYUJRMISIALCNQ-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N4O/c1-2-11(10-6-8-16-9-7-10)18-14(19)12-4-3-5-13(15)17-12/h3-9,11H,2H2,1H3,(H2,15,17)(H,18,19)/t11-/m0/s1.
What are the key properties of 6-amino-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-2-carboxamide?
6-amino-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-2-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(1S)-1-pyridin-4-ylpropyl]pyridine-2-carboxamide is sourced from PubChem (CID 99931443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).