N-methyl-5-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide

C20H22N4O — CID 95617225

IUPACN-methyl-5-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide
SMILESC[C@@H](CN(C)C(=O)c1cncc(-c2cnn(C)c2)c1)c1ccccc1
InChIInChI=1S/C20H22N4O/c1-15(16-7-5-4-6-8-16)13-23(2)20(25)18-9-17(10-21-11-18)19-12-22-24(3)14-19/h4-12,14-15H,13H2,1-3H3/t15-/m0/s1
InChIKeyROPWNEDNQWBGKV-HNNXBMFYSA-N
MW334.42 g/mol
LogP3.36
Rot. Bonds5

About N-methyl-5-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide

N-methyl-5-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide (PubChem CID 95617225) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-methyl-5-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide
PubChem CID95617225
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-methyl-5-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide
SMILESC[C@@H](CN(C)C(=O)c1cncc(-c2cnn(C)c2)c1)c1ccccc1
InChIInChI=1S/C20H22N4O/c1-15(16-7-5-4-6-8-16)13-23(2)20(25)18-9-17(10-21-11-18)19-12-22-24(3)14-19/h4-12,14-15H,13H2,1-3H3/t15-/m0/s1
InChIKeyROPWNEDNQWBGKV-HNNXBMFYSA-N
XLogP3.36
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 110090655
5-(1-methylpyrazol-4-yl)pyridine-3-carbohydrazide
CID 175442259
N-(2-hydroxyethyl)-N-methyl-3-(1-methylpyrazol-4-yl)benzamide
CID 110486259
N-methyl-5-phenyl-N-prop-2-ynylpyridine-3-carboxamide
CID 99832245
N-(2-bromopropyl)-N,1-dimethylpyrazole-4-carboxamide
CID 80664990
3-(1-methylpyrazol-4-yl)-5-propan-2-ylpyridine
CID 59333396
N-[2-(3,4-dichlorophenyl)propyl]-N-methylbenzamide
CID 22405750
3-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 120524389
(NE)-N-[1-[5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethylidene]hydroxylamine
CID 82534296
(3R)-1-[8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-3-phenylbutan-1-one
CID 162152490
5-(1-methylpyrazol-4-yl)-N-[2-(2-oxo-1,3-benzoxazol-3-yl)ethyl]pyridine-3-carboxamide
CID 75462742
N-(2-methylpropyl)-3-(1-methylpyrazol-4-yl)benzamide
CID 110486267

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-5-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide (CID 95617225) is N-methyl-5-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-5-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-5-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide is C[C@@H](CN(C)C(=O)c1cncc(-c2cnn(C)c2)c1)c1ccccc1.
What is the InChIKey of N-methyl-5-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide?
The InChIKey is ROPWNEDNQWBGKV-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15(16-7-5-4-6-8-16)13-23(2)20(25)18-9-17(10-21-11-18)19-12-22-24(3)14-19/h4-12,14-15H,13H2,1-3H3/t15-/m0/s1.
What are the key properties of N-methyl-5-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide?
N-methyl-5-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(1-methylpyrazol-4-yl)-N-[(2R)-2-phenylpropyl]pyridine-3-carboxamide is sourced from PubChem (CID 95617225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).