N,N-diethyl-4-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide

C17H27N3O — CID 43395286

IUPACN,N-diethyl-4-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(NC2CCC(C)CC2)ccn1
InChIInChI=1S/C17H27N3O/c1-4-20(5-2)17(21)16-12-15(10-11-18-16)19-14-8-6-13(3)7-9-14/h10-14H,4-9H2,1-3H3,(H,18,19)
InChIKeyIRSGNFGQMFTVPF-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.55
Rot. Bonds5

About N,N-diethyl-4-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide

N,N-diethyl-4-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide (PubChem CID 43395286) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N,N-diethyl-4-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide
PubChem CID43395286
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN,N-diethyl-4-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc(NC2CCC(C)CC2)ccn1
InChIInChI=1S/C17H27N3O/c1-4-20(5-2)17(21)16-12-15(10-11-18-16)19-14-8-6-13(3)7-9-14/h10-14H,4-9H2,1-3H3,(H,18,19)
InChIKeyIRSGNFGQMFTVPF-UHFFFAOYSA-N
XLogP3.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-methylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 43143066
N,N-diethyl-4-[(2-methylcyclohexyl)amino]pyridine-2-carboxamide
CID 43395278
N,N-dimethyl-4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxamide
CID 79110565
N,N-diethyl-4-(propylamino)pyridine-2-carboxamide
CID 43395263
N-(cyclopropylmethyl)-N-ethyl-4-(propylamino)pyridine-2-carboxamide
CID 63939735
4-(cyclooctylamino)-N-ethylpyridine-2-carboxamide
CID 43517873
4-(cycloheptylamino)-N-ethylpyridine-2-carboxamide
CID 43517906
N,N-diethyl-4-[(1-methylcyclopropyl)amino]pyridine-2-carboxamide
CID 113485597
N-butyl-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109202468
4-(ethylamino)-N-methyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 62178128
2-[[2-(diethylcarbamoyl)-4-pyridinyl]amino]oxyacetic acid
CID 115572227
N,N-diethyl-4-(2-methylbutylamino)pyridine-2-carboxamide
CID 62693747

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide?
The IUPAC name of N,N-diethyl-4-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide (CID 43395286) is N,N-diethyl-4-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide?
The canonical SMILES for N,N-diethyl-4-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide is CCN(CC)C(=O)c1cc(NC2CCC(C)CC2)ccn1.
What is the InChIKey of N,N-diethyl-4-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide?
The InChIKey is IRSGNFGQMFTVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-20(5-2)17(21)16-12-15(10-11-18-16)19-14-8-6-13(3)7-9-14/h10-14H,4-9H2,1-3H3,(H,18,19).
What are the key properties of N,N-diethyl-4-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide?
N,N-diethyl-4-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(4-methylcyclohexyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 43395286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).