5-chloro-6-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]pyridine-3-carboxamide

C15H20ClN5O — CID 94801285

IUPAC5-chloro-6-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]pyridine-3-carboxamide
SMILESCc1cc(C)n(C[C@H](C)CNc2ncc(C(N)=O)cc2Cl)n1
InChIInChI=1S/C15H20ClN5O/c1-9(8-21-11(3)4-10(2)20-21)6-18-15-13(16)5-12(7-19-15)14(17)22/h4-5,7,9H,6,8H2,1-3H3,(H2,17,22)(H,18,19)/t9-/m1/s1
InChIKeyRHTPADAQOWNPDE-SECBINFHSA-N
MW321.81 g/mol
LogP2.40
Rot. Bonds6

About 5-chloro-6-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]pyridine-3-carboxamide

5-chloro-6-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]pyridine-3-carboxamide (PubChem CID 94801285) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is 5-chloro-6-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]pyridine-3-carboxamide
PubChem CID94801285
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC Name5-chloro-6-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]pyridine-3-carboxamide
SMILESCc1cc(C)n(C[C@H](C)CNc2ncc(C(N)=O)cc2Cl)n1
InChIInChI=1S/C15H20ClN5O/c1-9(8-21-11(3)4-10(2)20-21)6-18-15-13(16)5-12(7-19-15)14(17)22/h4-5,7,9H,6,8H2,1-3H3,(H2,17,22)(H,18,19)/t9-/m1/s1
InChIKeyRHTPADAQOWNPDE-SECBINFHSA-N
XLogP2.40
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-[[2-hydroxy-2-(3-methylphenyl)ethyl]amino]pyridine-3-carboxamide
CID 133375865
5-chloro-6-[[2-(3,5-dichlorophenyl)-2-hydroxyethyl]amino]pyridine-3-carboxamide
CID 133308115
[5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56587654
4-chloro-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]pyridine-2-carboxamide
CID 94732274
1-(3-chlorophenyl)-3-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]urea
CID 19590515
5-chloro-6-[(2-methyl-2-methylsulfanylpropyl)amino]pyridine-3-carboxamide
CID 133327417
5-chloro-6-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylamino]pyridine-3-carboxamide
CID 56816532
(2S)-N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylbutanamide
CID 94185912
7-chloro-N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1,3-benzodioxole-5-carboxamide
CID 51953808
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62447780
4-[(5-carbamoyl-3-chloro-2-pyridinyl)amino]butanoic acid
CID 122058630
4-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]-1,1-dimethylfuro[3,4-c]pyridin-3-one
CID 96527174

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]pyridine-3-carboxamide (CID 94801285) is 5-chloro-6-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]pyridine-3-carboxamide is Cc1cc(C)n(C[C@H](C)CNc2ncc(C(N)=O)cc2Cl)n1.
What is the InChIKey of 5-chloro-6-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]pyridine-3-carboxamide?
The InChIKey is RHTPADAQOWNPDE-SECBINFHSA-N. The full InChI is InChI=1S/C15H20ClN5O/c1-9(8-21-11(3)4-10(2)20-21)6-18-15-13(16)5-12(7-19-15)14(17)22/h4-5,7,9H,6,8H2,1-3H3,(H2,17,22)(H,18,19)/t9-/m1/s1.
What are the key properties of 5-chloro-6-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]pyridine-3-carboxamide?
5-chloro-6-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]pyridine-3-carboxamide has a molecular weight of 321.81 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 94801285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).