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

C21H20N6O5 — CID 58710475

IUPACN-[(1R)-1-[3-[(3-methoxybenzoyl)amino]-1,2-oxazol-5-yl]ethyl]-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide
SMILESCOc1cccc(C(=O)Nc2cc([C@@H](C)NC(=O)c3ncnc4c3CCC(=O)N4)on2)c1
InChIInChI=1S/C21H20N6O5/c1-11(24-21(30)18-14-6-7-17(28)26-19(14)23-10-22-18)15-9-16(27-32-15)25-20(29)12-4-3-5-13(8-12)31-2/h3-5,8-11H,6-7H2,1-2H3,(H,24,30)(H,25,27,29)(H,22,23,26,28)/t11-/m1/s1
InChIKeyDQVAUPUMTGPZLP-LLVKDONJSA-N
MW436.43 g/mol
LogP2.10
Rot. Bonds6

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

N-[(1R)-1-[3-[(3-methoxybenzoyl)amino]-1,2-oxazol-5-yl]ethyl]-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide (PubChem CID 58710475) has the molecular formula C21H20N6O5 and a molecular weight of 436.43 g/mol. Its IUPAC name is N-[(1R)-1-[3-[(3-methoxybenzoyl)amino]-1,2-oxazol-5-yl]ethyl]-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-[(3-methoxybenzoyl)amino]-1,2-oxazol-5-yl]ethyl]-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide
PubChem CID58710475
Molecular FormulaC21H20N6O5
Molecular Weight436.43 g/mol
Exact Mass436.15
IUPAC NameN-[(1R)-1-[3-[(3-methoxybenzoyl)amino]-1,2-oxazol-5-yl]ethyl]-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide
SMILESCOc1cccc(C(=O)Nc2cc([C@@H](C)NC(=O)c3ncnc4c3CCC(=O)N4)on2)c1
InChIInChI=1S/C21H20N6O5/c1-11(24-21(30)18-14-6-7-17(28)26-19(14)23-10-22-18)15-9-16(27-32-15)25-20(29)12-4-3-5-13(8-12)31-2/h3-5,8-11H,6-7H2,1-2H3,(H,24,30)(H,25,27,29)(H,22,23,26,28)/t11-/m1/s1
InChIKeyDQVAUPUMTGPZLP-LLVKDONJSA-N
XLogP2.10
TPSA148.34 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[(1R)-1-[3-[(3-methoxybenzoyl)amino]-1,2-oxazol-5-yl]ethyl]-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide with MolForge

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Related Compounds

1-N-(3-methoxyphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109057638
N-(1,2-oxazol-3-yl)-3-propan-2-yloxybenzamide
CID 17217707
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methoxybenzamide
CID 17101518
3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034569
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide
CID 82022486
3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017819
N-[5-(aminomethyl)-2-pyridinyl]-3-methoxybenzamide
CID 62350444
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide
CID 1452890
3-methoxy-N-[5-(2-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034507
3-methoxy-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494679
N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide
CID 43416663

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-[(3-methoxybenzoyl)amino]-1,2-oxazol-5-yl]ethyl]-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide?
The IUPAC name of N-[(1R)-1-[3-[(3-methoxybenzoyl)amino]-1,2-oxazol-5-yl]ethyl]-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide (CID 58710475) is N-[(1R)-1-[3-[(3-methoxybenzoyl)amino]-1,2-oxazol-5-yl]ethyl]-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(1R)-1-[3-[(3-methoxybenzoyl)amino]-1,2-oxazol-5-yl]ethyl]-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide?
The canonical SMILES for N-[(1R)-1-[3-[(3-methoxybenzoyl)amino]-1,2-oxazol-5-yl]ethyl]-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide is COc1cccc(C(=O)Nc2cc([C@@H](C)NC(=O)c3ncnc4c3CCC(=O)N4)on2)c1.
What is the InChIKey of N-[(1R)-1-[3-[(3-methoxybenzoyl)amino]-1,2-oxazol-5-yl]ethyl]-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide?
The InChIKey is DQVAUPUMTGPZLP-LLVKDONJSA-N. The full InChI is InChI=1S/C21H20N6O5/c1-11(24-21(30)18-14-6-7-17(28)26-19(14)23-10-22-18)15-9-16(27-32-15)25-20(29)12-4-3-5-13(8-12)31-2/h3-5,8-11H,6-7H2,1-2H3,(H,24,30)(H,25,27,29)(H,22,23,26,28)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-[3-[(3-methoxybenzoyl)amino]-1,2-oxazol-5-yl]ethyl]-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide?
N-[(1R)-1-[3-[(3-methoxybenzoyl)amino]-1,2-oxazol-5-yl]ethyl]-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide has a molecular weight of 436.43 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-[(3-methoxybenzoyl)amino]-1,2-oxazol-5-yl]ethyl]-7-oxo-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-4-carboxamide is sourced from PubChem (CID 58710475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).