N-(1-cyclopropylbutan-2-yl)-4-(propylamino)pyridine-3-carboxamide

C16H25N3O — CID 81242102

IUPACN-(1-cyclopropylbutan-2-yl)-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)NC(CC)CC1CC1
InChIInChI=1S/C16H25N3O/c1-3-8-18-15-7-9-17-11-14(15)16(20)19-13(4-2)10-12-5-6-12/h7,9,11-13H,3-6,8,10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyQIPSPSRZCUIQOQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.21
Rot. Bonds8

About N-(1-cyclopropylbutan-2-yl)-4-(propylamino)pyridine-3-carboxamide

N-(1-cyclopropylbutan-2-yl)-4-(propylamino)pyridine-3-carboxamide (PubChem CID 81242102) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-4-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-4-(propylamino)pyridine-3-carboxamide
PubChem CID81242102
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-(1-cyclopropylbutan-2-yl)-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1ccncc1C(=O)NC(CC)CC1CC1
InChIInChI=1S/C16H25N3O/c1-3-8-18-15-7-9-17-11-14(15)16(20)19-13(4-2)10-12-5-6-12/h7,9,11-13H,3-6,8,10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyQIPSPSRZCUIQOQ-UHFFFAOYSA-N
XLogP3.21
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-octan-4-yl-4-(propylamino)pyridine-3-carboxamide
CID 106027974
N-hexan-3-yl-4-hydrazinylpyridine-3-carboxamide
CID 81256728
N-(4,4-dimethylcyclohexyl)-4-(propylamino)pyridine-3-carboxamide
CID 81235124
4-(propylamino)-N-(1-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 81239560
4-(propylamino)-N-(2,2,3,3-tetramethylcyclopropyl)pyridine-3-carboxamide
CID 81244963
N-(2-methylpentan-3-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105069100
N-[2-(carbamoylamino)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 83115001
N-(1-cyclopropylbutan-2-yl)-5-methyl-2-(methylamino)benzamide
CID 63994027
N-(1-methylcyclopentyl)-4-(propylamino)pyridine-3-carboxamide
CID 81245301
[4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 81234775
N-[(1-methylpiperidin-2-yl)methyl]-4-(propylamino)pyridine-3-carboxamide
CID 81238615
N-[3-oxo-3-(propylamino)propyl]-4-(propylamino)pyridine-3-carboxamide
CID 81237252

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-4-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-4-(propylamino)pyridine-3-carboxamide (CID 81242102) is N-(1-cyclopropylbutan-2-yl)-4-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-4-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-4-(propylamino)pyridine-3-carboxamide is CCCNc1ccncc1C(=O)NC(CC)CC1CC1.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-4-(propylamino)pyridine-3-carboxamide?
The InChIKey is QIPSPSRZCUIQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-8-18-15-7-9-17-11-14(15)16(20)19-13(4-2)10-12-5-6-12/h7,9,11-13H,3-6,8,10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of N-(1-cyclopropylbutan-2-yl)-4-(propylamino)pyridine-3-carboxamide?
N-(1-cyclopropylbutan-2-yl)-4-(propylamino)pyridine-3-carboxamide has a molecular weight of 275.40 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-4-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81242102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).