6-cyclopropyl-N-(2-methylsulfonylphenyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C20H19N5O3S — CID 165415401

IUPAC6-cyclopropyl-N-(2-methylsulfonylphenyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C20H19N5O3S/c1-29(27,28)18-5-3-2-4-16(18)25-20(26)19-17(23-14-10-21-12-22-11-14)9-8-15(24-19)13-6-7-13/h2-5,8-13,23H,6-7H2,1H3,(H,25,26)
InChIKeyQTFNMLUJVLQPPK-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.15
Rot. Bonds6

About 6-cyclopropyl-N-(2-methylsulfonylphenyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-(2-methylsulfonylphenyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 165415401) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 6-cyclopropyl-N-(2-methylsulfonylphenyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(2-methylsulfonylphenyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID165415401
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name6-cyclopropyl-N-(2-methylsulfonylphenyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C20H19N5O3S/c1-29(27,28)18-5-3-2-4-16(18)25-20(26)19-17(23-14-10-21-12-22-11-14)9-8-15(24-19)13-6-7-13/h2-5,8-13,23H,6-7H2,1H3,(H,25,26)
InChIKeyQTFNMLUJVLQPPK-UHFFFAOYSA-N
XLogP3.15
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-cyclopropyl-N-(5-pyridin-2-ylthiophen-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53329709
6-cyclopropyl-N-[3-(cyclopropylcarbamoyl)thiophen-2-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 58548356
6-cyclopropyl-N-(2-pyridin-2-yl-1,3-thiazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53330053
6-cyclopropyl-N-[2-(methylcarbamoyl)phenyl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 54760375
6-cyclopropyl-N-[4-(dimethylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 54760756
6-cyclopropyl-N-[4-(methylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 54760757
5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-pyridin-2-yl-1,3-thiazole-4-carboxamide
CID 58548189
N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}-6-[(pyridin-2-yl)amino]pyridazine-3-carboxamide
CID 138756257
5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 58548384
N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide
CID 75201717
Tyk2-IN-7
CID 138911330
6-[(5-Fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
CID 155546008

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(2-methylsulfonylphenyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(2-methylsulfonylphenyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 165415401) is 6-cyclopropyl-N-(2-methylsulfonylphenyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(2-methylsulfonylphenyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(2-methylsulfonylphenyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is CS(=O)(=O)c1ccccc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-(2-methylsulfonylphenyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is QTFNMLUJVLQPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-29(27,28)18-5-3-2-4-16(18)25-20(26)19-17(23-14-10-21-12-22-11-14)9-8-15(24-19)13-6-7-13/h2-5,8-13,23H,6-7H2,1H3,(H,25,26).
What are the key properties of 6-cyclopropyl-N-(2-methylsulfonylphenyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-(2-methylsulfonylphenyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(2-methylsulfonylphenyl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 165415401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).