N-[6-(butanoylamino)-4-methyl-3-pyridinyl]pyridine-2-carboxamide

C16H18N4O2 — CID 656032

IUPACN-[6-(butanoylamino)-4-methyl-3-pyridinyl]pyridine-2-carboxamide
SMILESCCCC(=O)Nc1cc(C)c(NC(=O)c2ccccn2)cn1
InChIInChI=1S/C16H18N4O2/c1-3-6-15(21)20-14-9-11(2)13(10-18-14)19-16(22)12-7-4-5-8-17-12/h4-5,7-10H,3,6H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyKYKZBMYNGWMKLR-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.78
Rot. Bonds5

About N-[6-(butanoylamino)-4-methyl-3-pyridinyl]pyridine-2-carboxamide

N-[6-(butanoylamino)-4-methyl-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 656032) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[6-(butanoylamino)-4-methyl-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(butanoylamino)-4-methyl-3-pyridinyl]pyridine-2-carboxamide
PubChem CID656032
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[6-(butanoylamino)-4-methyl-3-pyridinyl]pyridine-2-carboxamide
SMILESCCCC(=O)Nc1cc(C)c(NC(=O)c2ccccn2)cn1
InChIInChI=1S/C16H18N4O2/c1-3-6-15(21)20-14-9-11(2)13(10-18-14)19-16(22)12-7-4-5-8-17-12/h4-5,7-10H,3,6H2,1-2H3,(H,19,22)(H,18,20,21)
InChIKeyKYKZBMYNGWMKLR-UHFFFAOYSA-N
XLogP2.78
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(butanoylamino)-4-methyl-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of N-[6-(butanoylamino)-4-methyl-3-pyridinyl]pyridine-2-carboxamide (CID 656032) is N-[6-(butanoylamino)-4-methyl-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(butanoylamino)-4-methyl-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for N-[6-(butanoylamino)-4-methyl-3-pyridinyl]pyridine-2-carboxamide is CCCC(=O)Nc1cc(C)c(NC(=O)c2ccccn2)cn1.
What is the InChIKey of N-[6-(butanoylamino)-4-methyl-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is KYKZBMYNGWMKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-3-6-15(21)20-14-9-11(2)13(10-18-14)19-16(22)12-7-4-5-8-17-12/h4-5,7-10H,3,6H2,1-2H3,(H,19,22)(H,18,20,21).
What are the key properties of N-[6-(butanoylamino)-4-methyl-3-pyridinyl]pyridine-2-carboxamide?
N-[6-(butanoylamino)-4-methyl-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(butanoylamino)-4-methyl-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 656032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).