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

C16H20N4O — CID 81239560

IUPAC4-(propylamino)-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)NC(C)c1ccccn1
InChIInChI=1S/C16H20N4O/c1-3-8-18-15-7-10-17-11-13(15)16(21)20-12(2)14-6-4-5-9-19-14/h4-7,9-12H,3,8H2,1-2H3,(H,17,18)(H,20,21)
InChIKeyFVVBDWANLHZUEV-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.79
Rot. Bonds6

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

4-(propylamino)-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide (PubChem CID 81239560) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-(propylamino)-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(propylamino)-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
PubChem CID81239560
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-(propylamino)-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)NC(C)c1ccccn1
InChIInChI=1S/C16H20N4O/c1-3-8-18-15-7-10-17-11-13(15)16(21)20-12(2)14-6-4-5-9-19-14/h4-7,9-12H,3,8H2,1-2H3,(H,17,18)(H,20,21)
InChIKeyFVVBDWANLHZUEV-UHFFFAOYSA-N
XLogP2.79
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 62168319
3-hydroxy-N-(1-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 81443248
N-octan-4-yl-4-(propylamino)pyridine-3-carboxamide
CID 106027974
N-(1-cyclopropylbutan-2-yl)-4-(propylamino)pyridine-3-carboxamide
CID 81242102
2-(methylamino)-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 81406697
N-[1-(2-chlorophenyl)ethyl]-4-(ethylamino)pyridine-3-carboxamide
CID 81238108
4-(ethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 81236067
2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802
3-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 105068619
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
N-(2-methylpentan-3-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105069100
N-(6-methyl-2-pyridinyl)-4-(propylamino)pyridine-3-carboxamide
CID 81235208

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 4-(propylamino)-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide (CID 81239560) is 4-(propylamino)-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(propylamino)-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(propylamino)-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide is CCCNc1ccncc1C(=O)NC(C)c1ccccn1.
What is the InChIKey of 4-(propylamino)-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide?
The InChIKey is FVVBDWANLHZUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-8-18-15-7-10-17-11-13(15)16(21)20-12(2)14-6-4-5-9-19-14/h4-7,9-12H,3,8H2,1-2H3,(H,17,18)(H,20,21).
What are the key properties of 4-(propylamino)-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide?
4-(propylamino)-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 81239560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).