N-[2-(cyclohexylamino)-2-oxoethyl]pyridine-4-carboxamide

C14H19N3O2 — CID 47172514

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]pyridine-4-carboxamide
SMILESO=C(CNC(=O)c1ccncc1)NC1CCCCC1
InChIInChI=1S/C14H19N3O2/c18-13(17-12-4-2-1-3-5-12)10-16-14(19)11-6-8-15-9-7-11/h6-9,12H,1-5,10H2,(H,16,19)(H,17,18)
InChIKeyJTWMLDUAMFUJNT-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.26
Rot. Bonds4

About N-[2-(cyclohexylamino)-2-oxoethyl]pyridine-4-carboxamide

N-[2-(cyclohexylamino)-2-oxoethyl]pyridine-4-carboxamide (PubChem CID 47172514) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]pyridine-4-carboxamide
PubChem CID47172514
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]pyridine-4-carboxamide
SMILESO=C(CNC(=O)c1ccncc1)NC1CCCCC1
InChIInChI=1S/C14H19N3O2/c18-13(17-12-4-2-1-3-5-12)10-16-14(19)11-6-8-15-9-7-11/h6-9,12H,1-5,10H2,(H,16,19)(H,17,18)
InChIKeyJTWMLDUAMFUJNT-UHFFFAOYSA-N
XLogP1.26
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexylpyridine-4-carboxamide
CID 3436730
N-[2-(cyclopentylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705401
N-cyclopentylpyridine-4-carboxamide
CID 4212000
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylbenzamide
CID 1262280
N-[2-(cyclopentylamino)-2-oxoethyl]-4-phenylbenzamide
CID 18129640
2-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 113277733
N-[2-(cyclooctylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 4082368
N-cyclohexyl-4-(2-pyridin-4-ylethyl)benzamide
CID 67802758
N-[2-(cyclooctylamino)-2-oxoethyl]-4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46323993
N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylacetamide
CID 51160966
N-[2-(methylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 58188881
2-chloro-N-[2-(cyclohexylamino)-2-oxoethyl]benzamide
CID 4788216

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]pyridine-4-carboxamide (CID 47172514) is N-[2-(cyclohexylamino)-2-oxoethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]pyridine-4-carboxamide is O=C(CNC(=O)c1ccncc1)NC1CCCCC1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]pyridine-4-carboxamide?
The InChIKey is JTWMLDUAMFUJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-13(17-12-4-2-1-3-5-12)10-16-14(19)11-6-8-15-9-7-11/h6-9,12H,1-5,10H2,(H,16,19)(H,17,18).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]pyridine-4-carboxamide?
N-[2-(cyclohexylamino)-2-oxoethyl]pyridine-4-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]pyridine-4-carboxamide is sourced from PubChem (CID 47172514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).