N-(4-methylhexan-2-yl)-3-(propylamino)pyridine-4-carboxamide

C16H27N3O — CID 105070483

IUPACN-(4-methylhexan-2-yl)-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)NC(C)CC(C)CC
InChIInChI=1S/C16H27N3O/c1-5-8-18-15-11-17-9-7-14(15)16(20)19-13(4)10-12(3)6-2/h7,9,11-13,18H,5-6,8,10H2,1-4H3,(H,19,20)
InChIKeySZBMZEGGWLQKBJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.46
Rot. Bonds8

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

N-(4-methylhexan-2-yl)-3-(propylamino)pyridine-4-carboxamide (PubChem CID 105070483) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-(4-methylhexan-2-yl)-3-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylhexan-2-yl)-3-(propylamino)pyridine-4-carboxamide
PubChem CID105070483
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-(4-methylhexan-2-yl)-3-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cnccc1C(=O)NC(C)CC(C)CC
InChIInChI=1S/C16H27N3O/c1-5-8-18-15-11-17-9-7-14(15)16(20)19-13(4)10-12(3)6-2/h7,9,11-13,18H,5-6,8,10H2,1-4H3,(H,19,20)
InChIKeySZBMZEGGWLQKBJ-UHFFFAOYSA-N
XLogP3.46
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpentan-3-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105069100
N-[1-(dimethylamino)propan-2-yl]-3-(propylamino)pyridine-4-carboxamide
CID 105070967
4-(ethylamino)-N-(4-methylhexan-2-yl)pyridine-3-carboxamide
CID 81245539
N-(1-imidazol-1-ylpropan-2-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105069520
N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(propylamino)pyridine-4-carboxamide
CID 105068732
3-(propylamino)-N-(1-thiophen-2-ylethyl)pyridine-4-carboxamide
CID 105068619
3-(ethylamino)-N-(5-methylhexan-2-yl)pyridine-4-carboxamide
CID 105070222
N-(2-propan-2-ylpyrazol-3-yl)-3-(propylamino)pyridine-4-carboxamide
CID 105067928
N-ethyl-N-propan-2-yl-3-(propylamino)pyridine-4-carboxamide
CID 105068541
N-(cyclopentylmethyl)-3-(propylamino)pyridine-4-carboxamide
CID 105068587
N-cyclooctyl-3-(propylamino)pyridine-4-carboxamide
CID 105067977
3-(methylamino)-N-octan-2-ylpyridine-4-carboxamide
CID 105069105

Frequently Asked Questions

What is the IUPAC name of N-(4-methylhexan-2-yl)-3-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-methylhexan-2-yl)-3-(propylamino)pyridine-4-carboxamide (CID 105070483) is N-(4-methylhexan-2-yl)-3-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-methylhexan-2-yl)-3-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-methylhexan-2-yl)-3-(propylamino)pyridine-4-carboxamide is CCCNc1cnccc1C(=O)NC(C)CC(C)CC.
What is the InChIKey of N-(4-methylhexan-2-yl)-3-(propylamino)pyridine-4-carboxamide?
The InChIKey is SZBMZEGGWLQKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-8-18-15-11-17-9-7-14(15)16(20)19-13(4)10-12(3)6-2/h7,9,11-13,18H,5-6,8,10H2,1-4H3,(H,19,20).
What are the key properties of N-(4-methylhexan-2-yl)-3-(propylamino)pyridine-4-carboxamide?
N-(4-methylhexan-2-yl)-3-(propylamino)pyridine-4-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.46, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylhexan-2-yl)-3-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105070483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).