6-[[(1S)-1-(5-chloro-2-pyridinyl)ethyl]amino]-N,N-dimethylpyridine-3-carboxamide

C15H17ClN4O — CID 138045425

IUPAC6-[[(1S)-1-(5-chloro-2-pyridinyl)ethyl]amino]-N,N-dimethylpyridine-3-carboxamide
SMILESC[C@H](Nc1ccc(C(=O)N(C)C)cn1)c1ccc(Cl)cn1
InChIInChI=1S/C15H17ClN4O/c1-10(13-6-5-12(16)9-17-13)19-14-7-4-11(8-18-14)15(21)20(2)3/h4-10H,1-3H3,(H,18,19)/t10-/m0/s1
InChIKeyKSNQQRVINIUQCP-JTQLQIEISA-N
MW304.78 g/mol
LogP3.00
Rot. Bonds4

About 6-[[(1S)-1-(5-chloro-2-pyridinyl)ethyl]amino]-N,N-dimethylpyridine-3-carboxamide

6-[[(1S)-1-(5-chloro-2-pyridinyl)ethyl]amino]-N,N-dimethylpyridine-3-carboxamide (PubChem CID 138045425) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 6-[[(1S)-1-(5-chloro-2-pyridinyl)ethyl]amino]-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1S)-1-(5-chloro-2-pyridinyl)ethyl]amino]-N,N-dimethylpyridine-3-carboxamide
PubChem CID138045425
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name6-[[(1S)-1-(5-chloro-2-pyridinyl)ethyl]amino]-N,N-dimethylpyridine-3-carboxamide
SMILESC[C@H](Nc1ccc(C(=O)N(C)C)cn1)c1ccc(Cl)cn1
InChIInChI=1S/C15H17ClN4O/c1-10(13-6-5-12(16)9-17-13)19-14-7-4-11(8-18-14)15(21)20(2)3/h4-10H,1-3H3,(H,18,19)/t10-/m0/s1
InChIKeyKSNQQRVINIUQCP-JTQLQIEISA-N
XLogP3.00
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-6-(pentan-3-ylamino)pyridine-3-carboxamide
CID 78956363
6-(2,2-dimethylhydrazinyl)-N,N-dimethylpyridine-3-carboxamide
CID 83025620
6-(1-ethylsulfanylpropan-2-ylamino)-N,N-dimethylpyridine-3-carboxamide
CID 113351620
N,N-dimethyl-6-(2-methylsulfanylpropylamino)pyridine-3-carboxamide
CID 115903909
6-chloro-N,N-dimethylpyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride
CID 159595421
6-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]-N,N-dimethylpyridine-3-carboxamide
CID 133308195
N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]-2,6-dimethylpyrimidin-4-amine
CID 154736081
6-[(3-chloro-4-fluorophenyl)methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 78956139
6-(hex-1-yn-3-ylamino)-N,N-dimethylpyridine-3-carboxamide
CID 114161515
6-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 79764561
5-chloro-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine
CID 54968175
N-(4-chlorophenyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109156139

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S)-1-(5-chloro-2-pyridinyl)ethyl]amino]-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[[(1S)-1-(5-chloro-2-pyridinyl)ethyl]amino]-N,N-dimethylpyridine-3-carboxamide (CID 138045425) is 6-[[(1S)-1-(5-chloro-2-pyridinyl)ethyl]amino]-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[(1S)-1-(5-chloro-2-pyridinyl)ethyl]amino]-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[[(1S)-1-(5-chloro-2-pyridinyl)ethyl]amino]-N,N-dimethylpyridine-3-carboxamide is C[C@H](Nc1ccc(C(=O)N(C)C)cn1)c1ccc(Cl)cn1.
What is the InChIKey of 6-[[(1S)-1-(5-chloro-2-pyridinyl)ethyl]amino]-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is KSNQQRVINIUQCP-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-10(13-6-5-12(16)9-17-13)19-14-7-4-11(8-18-14)15(21)20(2)3/h4-10H,1-3H3,(H,18,19)/t10-/m0/s1.
What are the key properties of 6-[[(1S)-1-(5-chloro-2-pyridinyl)ethyl]amino]-N,N-dimethylpyridine-3-carboxamide?
6-[[(1S)-1-(5-chloro-2-pyridinyl)ethyl]amino]-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S)-1-(5-chloro-2-pyridinyl)ethyl]amino]-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 138045425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).