N-[3-[(2-methyl-5-oxo-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]pyrrolidine-1-carboxamide;3-propylpyrrolidine

C26H35N7O2 — CID 143942345

IUPACN-[3-[(2-methyl-5-oxo-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]pyrrolidine-1-carboxamide;3-propylpyrrolidine
SMILESCCCC1CCNC1.Cc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)c2c(=O)[nH]ccc2n1
InChIInChI=1S/C19H20N6O2.C7H15N/c1-12-21-15-7-8-20-18(26)16(15)17(22-12)23-13-5-4-6-14(11-13)24-19(27)25-9-2-3-10-25;1-2-3-7-4-5-8-6-7/h4-8,11H,2-3,9-10H2,1H3,(H,20,26)(H,24,27)(H,21,22,23);7-8H,2-6H2,1H3
InChIKeyUDMZBENEQBWASX-UHFFFAOYSA-N
MW477.61 g/mol
LogP4.39
Rot. Bonds5

About N-[3-[(2-methyl-5-oxo-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]pyrrolidine-1-carboxamide;3-propylpyrrolidine

N-[3-[(2-methyl-5-oxo-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]pyrrolidine-1-carboxamide;3-propylpyrrolidine (PubChem CID 143942345) has the molecular formula C26H35N7O2 and a molecular weight of 477.61 g/mol. Its IUPAC name is N-[3-[(2-methyl-5-oxo-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]pyrrolidine-1-carboxamide;3-propylpyrrolidine.

Molecular Properties

Compound NameN-[3-[(2-methyl-5-oxo-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]pyrrolidine-1-carboxamide;3-propylpyrrolidine
PubChem CID143942345
Molecular FormulaC26H35N7O2
Molecular Weight477.61 g/mol
Exact Mass477.29
IUPAC NameN-[3-[(2-methyl-5-oxo-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]pyrrolidine-1-carboxamide;3-propylpyrrolidine
SMILESCCCC1CCNC1.Cc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)c2c(=O)[nH]ccc2n1
InChIInChI=1S/C19H20N6O2.C7H15N/c1-12-21-15-7-8-20-18(26)16(15)17(22-12)23-13-5-4-6-14(11-13)24-19(27)25-9-2-3-10-25;1-2-3-7-4-5-8-6-7/h4-8,11H,2-3,9-10H2,1H3,(H,20,26)(H,24,27)(H,21,22,23);7-8H,2-6H2,1H3
InChIKeyUDMZBENEQBWASX-UHFFFAOYSA-N
XLogP4.39
TPSA115.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 54.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[5-oxo-2-[[(3R)-pyrrolidin-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-4-yl]amino]phenyl]pyrrolidine-1-carboxamide
CID 44818365
(2R)-2-methyl-N-[3-[[4-(3-methylanilino)-5-oxo-6H-pyrido[4,3-d]pyrimidin-2-yl]amino]propyl]pyrrolidine-1-carboxamide
CID 123972325
N-[3-[[4-(4-methoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide
CID 102140486
N-(3-aminophenyl)-3-pyrrolidin-3-ylpropanamide
CID 69171945
N-phenyl-4-(pyrrolidine-3-carbonylamino)piperidine-1-carboxamide;hydrochloride
CID 119700260
1-N-[3-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3574463
4-[3-methyl-5-(trifluoromethyl)anilino]-2-[[(3S)-pyrrolidin-3-yl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one;hydrochloride
CID 159881008
(2R)-2-[[5-oxo-4-[3-(triazol-2-yl)anilino]-6H-pyrido[4,3-d]pyrimidin-2-yl]amino]butanamide
CID 74223824
2-(3-acetamidoanilino)-4-(pyrrolidin-3-ylmethylamino)pyrimidine-5-carboxylic acid
CID 58098802
N-(2-pyrrolidin-3-ylethyl)piperidine-1-carboxamide
CID 79156274
ethyl 1-[(3-acetamidophenyl)carbamoyl]piperidine-4-carboxylate
CID 108884066
N-[3-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119740159

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methyl-5-oxo-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]pyrrolidine-1-carboxamide;3-propylpyrrolidine?
The IUPAC name of N-[3-[(2-methyl-5-oxo-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]pyrrolidine-1-carboxamide;3-propylpyrrolidine (CID 143942345) is N-[3-[(2-methyl-5-oxo-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]pyrrolidine-1-carboxamide;3-propylpyrrolidine.
What is the SMILES notation for N-[3-[(2-methyl-5-oxo-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]pyrrolidine-1-carboxamide;3-propylpyrrolidine?
The canonical SMILES for N-[3-[(2-methyl-5-oxo-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]pyrrolidine-1-carboxamide;3-propylpyrrolidine is CCCC1CCNC1.Cc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)c2c(=O)[nH]ccc2n1.
What is the InChIKey of N-[3-[(2-methyl-5-oxo-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]pyrrolidine-1-carboxamide;3-propylpyrrolidine?
The InChIKey is UDMZBENEQBWASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2.C7H15N/c1-12-21-15-7-8-20-18(26)16(15)17(22-12)23-13-5-4-6-14(11-13)24-19(27)25-9-2-3-10-25;1-2-3-7-4-5-8-6-7/h4-8,11H,2-3,9-10H2,1H3,(H,20,26)(H,24,27)(H,21,22,23);7-8H,2-6H2,1H3.
What are the key properties of N-[3-[(2-methyl-5-oxo-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]pyrrolidine-1-carboxamide;3-propylpyrrolidine?
N-[3-[(2-methyl-5-oxo-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]pyrrolidine-1-carboxamide;3-propylpyrrolidine has a molecular weight of 477.61 g/mol, XLogP of 4.39, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methyl-5-oxo-6H-pyrido[4,3-d]pyrimidin-4-yl)amino]phenyl]pyrrolidine-1-carboxamide;3-propylpyrrolidine is sourced from PubChem (CID 143942345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).