N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide

C18H22N6O — CID 94031928

IUPACN-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide
SMILESCc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc(-n3ccnc3)nc2)n1
InChIInChI=1S/C18H22N6O/c1-13(11-24-15(3)8-14(2)22-24)9-21-18(25)16-4-5-17(20-10-16)23-7-6-19-12-23/h4-8,10,12-13H,9,11H2,1-3H3,(H,21,25)/t13-/m0/s1
InChIKeyTTZDPOCDMYVPRH-ZDUSSCGKSA-N
MW338.42 g/mol
LogP2.15
Rot. Bonds6

About N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide

N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide (PubChem CID 94031928) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide
PubChem CID94031928
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC NameN-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide
SMILESCc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc(-n3ccnc3)nc2)n1
InChIInChI=1S/C18H22N6O/c1-13(11-24-15(3)8-14(2)22-24)9-21-18(25)16-4-5-17(20-10-16)23-7-6-19-12-23/h4-8,10,12-13H,9,11H2,1-3H3,(H,21,25)/t13-/m0/s1
InChIKeyTTZDPOCDMYVPRH-ZDUSSCGKSA-N
XLogP2.15
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152181
6-imidazol-1-yl-N-(2-methylsulfanylethyl)pyridine-3-carboxamide
CID 23594782
6-imidazol-1-yl-N-[(2S)-2-morpholin-4-ylpropyl]pyridine-3-carboxamide
CID 129367054
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 51953782
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methanesulfonamido)benzamide
CID 51962923
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-methylsulfonylbenzamide
CID 94028989
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 79246612
4-(cyclopropanecarbonylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]benzamide
CID 55783643
ethane;6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 142231779
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-4-(methylsulfonylmethyl)benzamide
CID 51953821
2-[(6-imidazol-1-ylpyridine-3-carbonyl)amino]propanoic acid
CID 43355195
N-(2-benzyl-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 146088860

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide (CID 94031928) is N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide is Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc(-n3ccnc3)nc2)n1.
What is the InChIKey of N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide?
The InChIKey is TTZDPOCDMYVPRH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N6O/c1-13(11-24-15(3)8-14(2)22-24)9-21-18(25)16-4-5-17(20-10-16)23-7-6-19-12-23/h4-8,10,12-13H,9,11H2,1-3H3,(H,21,25)/t13-/m0/s1.
What are the key properties of N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide?
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide has a molecular weight of 338.42 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-6-imidazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 94031928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).