N,6-dimethyl-N-(4-methylpentan-2-yl)-4-(propylamino)pyridine-3-carboxamide

C17H29N3O — CID 81237786

IUPACN,6-dimethyl-N-(4-methylpentan-2-yl)-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1cc(C)ncc1C(=O)N(C)C(C)CC(C)C
InChIInChI=1S/C17H29N3O/c1-7-8-18-16-10-13(4)19-11-15(16)17(21)20(6)14(5)9-12(2)3/h10-12,14H,7-9H2,1-6H3,(H,18,19)
InChIKeyYJKVPSZQBDENAJ-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.72
Rot. Bonds7

About N,6-dimethyl-N-(4-methylpentan-2-yl)-4-(propylamino)pyridine-3-carboxamide

N,6-dimethyl-N-(4-methylpentan-2-yl)-4-(propylamino)pyridine-3-carboxamide (PubChem CID 81237786) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N,6-dimethyl-N-(4-methylpentan-2-yl)-4-(propylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-N-(4-methylpentan-2-yl)-4-(propylamino)pyridine-3-carboxamide
PubChem CID81237786
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN,6-dimethyl-N-(4-methylpentan-2-yl)-4-(propylamino)pyridine-3-carboxamide
SMILESCCCNc1cc(C)ncc1C(=O)N(C)C(C)CC(C)C
InChIInChI=1S/C17H29N3O/c1-7-8-18-16-10-13(4)19-11-15(16)17(21)20(6)14(5)9-12(2)3/h10-12,14H,7-9H2,1-6H3,(H,18,19)
InChIKeyYJKVPSZQBDENAJ-UHFFFAOYSA-N
XLogP3.72
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-(4-methylpentan-2-yl)-4-(propylamino)pyridine-3-carboxamide?
The IUPAC name of N,6-dimethyl-N-(4-methylpentan-2-yl)-4-(propylamino)pyridine-3-carboxamide (CID 81237786) is N,6-dimethyl-N-(4-methylpentan-2-yl)-4-(propylamino)pyridine-3-carboxamide.
What is the SMILES notation for N,6-dimethyl-N-(4-methylpentan-2-yl)-4-(propylamino)pyridine-3-carboxamide?
The canonical SMILES for N,6-dimethyl-N-(4-methylpentan-2-yl)-4-(propylamino)pyridine-3-carboxamide is CCCNc1cc(C)ncc1C(=O)N(C)C(C)CC(C)C.
What is the InChIKey of N,6-dimethyl-N-(4-methylpentan-2-yl)-4-(propylamino)pyridine-3-carboxamide?
The InChIKey is YJKVPSZQBDENAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-7-8-18-16-10-13(4)19-11-15(16)17(21)20(6)14(5)9-12(2)3/h10-12,14H,7-9H2,1-6H3,(H,18,19).
What are the key properties of N,6-dimethyl-N-(4-methylpentan-2-yl)-4-(propylamino)pyridine-3-carboxamide?
N,6-dimethyl-N-(4-methylpentan-2-yl)-4-(propylamino)pyridine-3-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-(4-methylpentan-2-yl)-4-(propylamino)pyridine-3-carboxamide is sourced from PubChem (CID 81237786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).