3-chloro-N-(cyclobutylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide

C15H22ClN3O — CID 107401299

IUPAC3-chloro-N-(cyclobutylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)N(CC)CC2CCC2)n1
InChIInChI=1S/C15H22ClN3O/c1-3-17-13-9-8-12(16)14(18-13)15(20)19(4-2)10-11-6-5-7-11/h8-9,11H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyOJFMUQPFLFUNOW-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.43
Rot. Bonds6

About 3-chloro-N-(cyclobutylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide

3-chloro-N-(cyclobutylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide (PubChem CID 107401299) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 3-chloro-N-(cyclobutylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(cyclobutylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide
PubChem CID107401299
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name3-chloro-N-(cyclobutylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide
SMILESCCNc1ccc(Cl)c(C(=O)N(CC)CC2CCC2)n1
InChIInChI=1S/C15H22ClN3O/c1-3-17-13-9-8-12(16)14(18-13)15(20)19(4-2)10-11-6-5-7-11/h8-9,11H,3-7,10H2,1-2H3,(H,17,18)
InChIKeyOJFMUQPFLFUNOW-UHFFFAOYSA-N
XLogP3.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide
CID 63940498
N-(cyclobutylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide
CID 107401262
3-chloro-N-ethyl-6-(ethylamino)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62179575
3-chloro-N-ethyl-6-(ethylamino)-N-(2-methylbutyl)pyridine-2-carboxamide
CID 79469760
3-chloro-N-(2-cyclopentylethyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62181281
3-chloro-6-(ethylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 62173834
3-chloro-N,N-diethyl-6-(methylamino)pyridine-2-carboxamide
CID 62173042
3-chloro-N-cyclopentyl-N-ethyl-6-hydrazinylpyridine-2-carboxamide
CID 62243034
3-chloro-6-(ethylamino)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 107486136
3-chloro-6-(ethylamino)-N-[(3-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 107415196
3-chloro-N-(2,3-dimethylcyclohexyl)-6-(ethylamino)pyridine-2-carboxamide
CID 62165310
3,6-dichloro-N-ethyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 61051779

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(cyclobutylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(cyclobutylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide (CID 107401299) is 3-chloro-N-(cyclobutylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(cyclobutylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(cyclobutylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide is CCNc1ccc(Cl)c(C(=O)N(CC)CC2CCC2)n1.
What is the InChIKey of 3-chloro-N-(cyclobutylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide?
The InChIKey is OJFMUQPFLFUNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-3-17-13-9-8-12(16)14(18-13)15(20)19(4-2)10-11-6-5-7-11/h8-9,11H,3-7,10H2,1-2H3,(H,17,18).
What are the key properties of 3-chloro-N-(cyclobutylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide?
3-chloro-N-(cyclobutylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide has a molecular weight of 295.81 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(cyclobutylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 107401299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).