N-methyl-2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide

C15H16N6O3S — CID 58710409

IUPACN-methyl-2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc([C@@H](C)NC(=O)c2ncnc3c2CCC(=O)N3)s1
InChIInChI=1S/C15H16N6O3S/c1-7(15-17-5-9(25-15)13(23)16-2)20-14(24)11-8-3-4-10(22)21-12(8)19-6-18-11/h5-7H,3-4H2,1-2H3,(H,16,23)(H,20,24)(H,18,19,21,22)/t7-/m1/s1
InChIKeyYNAJADMLZQVLSP-SSDOTTSWSA-N
MW360.40 g/mol
LogP0.67
Rot. Bonds4

About N-methyl-2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide

N-methyl-2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 58710409) has the molecular formula C15H16N6O3S and a molecular weight of 360.40 g/mol. Its IUPAC name is N-methyl-2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID58710409
Molecular FormulaC15H16N6O3S
Molecular Weight360.40 g/mol
Exact Mass360.10
IUPAC NameN-methyl-2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cnc([C@@H](C)NC(=O)c2ncnc3c2CCC(=O)N3)s1
InChIInChI=1S/C15H16N6O3S/c1-7(15-17-5-9(25-15)13(23)16-2)20-14(24)11-8-3-4-10(22)21-12(8)19-6-18-11/h5-7H,3-4H2,1-2H3,(H,16,23)(H,20,24)(H,18,19,21,22)/t7-/m1/s1
InChIKeyYNAJADMLZQVLSP-SSDOTTSWSA-N
XLogP0.67
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-methyl-2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide (CID 58710409) is N-methyl-2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-methyl-2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-methyl-2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide is CNC(=O)c1cnc([C@@H](C)NC(=O)c2ncnc3c2CCC(=O)N3)s1.
What is the InChIKey of N-methyl-2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is YNAJADMLZQVLSP-SSDOTTSWSA-N. The full InChI is InChI=1S/C15H16N6O3S/c1-7(15-17-5-9(25-15)13(23)16-2)20-14(24)11-8-3-4-10(22)21-12(8)19-6-18-11/h5-7H,3-4H2,1-2H3,(H,16,23)(H,20,24)(H,18,19,21,22)/t7-/m1/s1.
What are the key properties of N-methyl-2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide?
N-methyl-2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 360.40 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(1R)-1-[(7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carbonyl)amino]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 58710409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).