[6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

C16H21N5O — CID 56824989

IUPAC[6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCCC2c2cnn(C)c2)cn1
InChIInChI=1S/C16H21N5O/c1-19(2)15-7-6-12(9-17-15)16(22)21-8-4-5-14(21)13-10-18-20(3)11-13/h6-7,9-11,14H,4-5,8H2,1-3H3
InChIKeyXJWDCKSVDPYKOL-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.86
Rot. Bonds3

About [6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

[6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 56824989) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is [6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID56824989
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name[6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCCC2c2cnn(C)c2)cn1
InChIInChI=1S/C16H21N5O/c1-19(2)15-7-6-12(9-17-15)16(22)21-8-4-5-14(21)13-10-18-20(3)11-13/h6-7,9-11,14H,4-5,8H2,1-3H3
InChIKeyXJWDCKSVDPYKOL-UHFFFAOYSA-N
XLogP1.86
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-methyl-2-[4-oxo-4-[4-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-1-yl]butyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 136175126
N-methyl-N-[(3S)-1-[6-(2-methylbutan-2-ylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]acetamide
CID 146637370
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 831914
Dipyridodiazepinone deriv. 34
CID 463554
8-[4-[2-(dimethylamino)ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135567109
6-(ethylcarbamoylamino)-4-pyrazol-1-yl-~{N}-pyridin-3-yl-pyridine-3-carboxamide
CID 138454245
N-(2,4-difluorophenyl)-6-(1H-pyrazol-1-yl)nicotinamide
CID 3567091
N-{1-[Amino(oxo)acetyl]pentyl}-2-(3-phenyl-1H-pyrazol-1-yl)nicotinamide
CID 25157358
N-{1-[Amino(oxo)acetyl]pentyl}-2-(4-phenyl-1H-pyrazol-1-yl)nicotinamide
CID 25157359
N,N-Dimethyl-6-(1H-pyrazol-1-yl)-3-pyridinecarboxamide
CID 3758868
2-[5-methyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049409
N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-N,2-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 146637376

Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 56824989) is [6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is CN(C)c1ccc(C(=O)N2CCCC2c2cnn(C)c2)cn1.
What is the InChIKey of [6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is XJWDCKSVDPYKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-19(2)15-7-6-12(9-17-15)16(22)21-8-4-5-14(21)13-10-18-20(3)11-13/h6-7,9-11,14H,4-5,8H2,1-3H3.
What are the key properties of [6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
[6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 299.38 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)-3-pyridinyl]-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56824989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).