N-(2-pyridin-3-ylpyrimidin-4-yl)thiophene-2-carboxamide

C14H10N4OS — CID 1477562

IUPACN-(2-pyridin-3-ylpyrimidin-4-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccnc(-c2cccnc2)n1)c1cccs1
InChIInChI=1S/C14H10N4OS/c19-14(11-4-2-8-20-11)18-12-5-7-16-13(17-12)10-3-1-6-15-9-10/h1-9H,(H,16,17,18,19)
InChIKeyIJEPWWOXPPNHSS-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.85
Rot. Bonds3

About N-(2-pyridin-3-ylpyrimidin-4-yl)thiophene-2-carboxamide

N-(2-pyridin-3-ylpyrimidin-4-yl)thiophene-2-carboxamide (PubChem CID 1477562) has the molecular formula C14H10N4OS and a molecular weight of 282.33 g/mol. Its IUPAC name is N-(2-pyridin-3-ylpyrimidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-3-ylpyrimidin-4-yl)thiophene-2-carboxamide
PubChem CID1477562
Molecular FormulaC14H10N4OS
Molecular Weight282.33 g/mol
Exact Mass282.06
IUPAC NameN-(2-pyridin-3-ylpyrimidin-4-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ccnc(-c2cccnc2)n1)c1cccs1
InChIInChI=1S/C14H10N4OS/c19-14(11-4-2-8-20-11)18-12-5-7-16-13(17-12)10-3-1-6-15-9-10/h1-9H,(H,16,17,18,19)
InChIKeyIJEPWWOXPPNHSS-UHFFFAOYSA-N
XLogP2.85
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-ethyl-2-(phenylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328648
3-methyl-N-(5-methylpyridin-2-yl)thiophene-2-carboxamide
CID 24686059
2-Thiophenecarboxamide, N-2-pyridinyl-
CID 759105
N-(6-{4-[3-(trifluoromethyl)pyridin-2-yl]piperazino}pyridin-3-yl)thiophene-2-carboxamide
CID 2741895
8-methyl-2-(phenylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328638
Pyrido[2,3-d]pyrimidin-7-one deriv. 27
CID 5328640
8-methyl-2-(phenylamino)-6-(thiophen-2-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328645
Thiophene-2-carboxylic acid (5-isobutyrylamino-4-methyl-pyridin-2-yl)-amide
CID 1449519
(2E)-2-cyano-N-pyridin-2-yl-3-(2-thienyl)acrylamide
CID 2544792
5-ethyl-4-methyl-N-(3-methyl-2-pyridinyl)thiophene-2-carboxamide
CID 4789493
N-(4-methyl-2-pyridinyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 16377304
5-methyl-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18106826

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-ylpyrimidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of N-(2-pyridin-3-ylpyrimidin-4-yl)thiophene-2-carboxamide (CID 1477562) is N-(2-pyridin-3-ylpyrimidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(2-pyridin-3-ylpyrimidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(2-pyridin-3-ylpyrimidin-4-yl)thiophene-2-carboxamide is O=C(Nc1ccnc(-c2cccnc2)n1)c1cccs1.
What is the InChIKey of N-(2-pyridin-3-ylpyrimidin-4-yl)thiophene-2-carboxamide?
The InChIKey is IJEPWWOXPPNHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS/c19-14(11-4-2-8-20-11)18-12-5-7-16-13(17-12)10-3-1-6-15-9-10/h1-9H,(H,16,17,18,19).
What are the key properties of N-(2-pyridin-3-ylpyrimidin-4-yl)thiophene-2-carboxamide?
N-(2-pyridin-3-ylpyrimidin-4-yl)thiophene-2-carboxamide has a molecular weight of 282.33 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-ylpyrimidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 1477562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).