N-[1-[[(1R)-1-[4-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide

C24H27N5O3 — CID 42606882

IUPACN-[1-[[(1R)-1-[4-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide
SMILESCC1C=CC(C)N1C(=O)c1ccc([C@@H](C)NC(=O)C2(NC(=O)c3cncnc3)CC2)cc1
InChIInChI=1S/C24H27N5O3/c1-15-4-5-16(2)29(15)22(31)19-8-6-18(7-9-19)17(3)27-23(32)24(10-11-24)28-21(30)20-12-25-14-26-13-20/h4-9,12-17H,10-11H2,1-3H3,(H,27,32)(H,28,30)/t15?,16?,17-/m1/s1
InChIKeyAPDMNTGVTZPBJK-OFLPRAFFSA-N
MW433.51 g/mol
LogP2.41
Rot. Bonds6

About N-[1-[[(1R)-1-[4-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide

N-[1-[[(1R)-1-[4-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide (PubChem CID 42606882) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[1-[[(1R)-1-[4-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-[[(1R)-1-[4-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide
PubChem CID42606882
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-[1-[[(1R)-1-[4-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide
SMILESCC1C=CC(C)N1C(=O)c1ccc([C@@H](C)NC(=O)C2(NC(=O)c3cncnc3)CC2)cc1
InChIInChI=1S/C24H27N5O3/c1-15-4-5-16(2)29(15)22(31)19-8-6-18(7-9-19)17(3)27-23(32)24(10-11-24)28-21(30)20-12-25-14-26-13-20/h4-9,12-17H,10-11H2,1-3H3,(H,27,32)(H,28,30)/t15?,16?,17-/m1/s1
InChIKeyAPDMNTGVTZPBJK-OFLPRAFFSA-N
XLogP2.41
TPSA104.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-[[(1R)-1-[4-(ethylcarbamoyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 46229895
5-bromo-N-[1-[[(1R)-1-[4-(2,5-dimethylpyrrolidine-1-carbonyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyridine-3-carboxamide
CID 42606411
N-[1-[[(1R)-1-[4-[di(propan-2-yl)carbamoyl]phenyl]ethyl]carbamoyl]cyclopropyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 42606995
N-[1-[[(1R)-1-[4-[(2R,5S)-2,5-dimethylpyrrolidine-1-carbonyl]-2-fluorophenyl]ethyl]carbamoyl]cyclopropyl]pyridazine-4-carboxamide
CID 71025754
1-acetamido-N-[(1S)-1-pyridin-4-ylethyl]cyclohexane-1-carboxamide
CID 95231374
N-[1-[1-[3-chloro-5-[2-(trifluoromethyl)phenoxy]-2-pyridinyl]ethylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 70854518
N-[1-[[(1S)-1-[5-[4-chloro-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 59496484
N-[1-[[5-[4-(1-hydroxyethyl)-2-(trifluoromethyl)phenoxy]pyrimidin-2-yl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 70854465
N-[1-[1-[5-[4-bromo-2-(trifluoromethyl)anilino]-3-fluoro-2-pyridinyl]ethylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 59496470
CID 87152874
CID 87152874
N-[1-[[4-[2-bromo-4-(1-hydroxyethyl)phenoxy]phenyl]methylcarbamoyl]cyclopropyl]pyrimidine-5-carboxamide
CID 71024524
N-[1-[[(1R)-1-[4-(2,5-dimethylpyrrolidine-1-carbonyl)-2,3-difluorophenyl]ethyl]carbamoyl]cyclopropyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 42605950

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(1R)-1-[4-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide?
The IUPAC name of N-[1-[[(1R)-1-[4-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide (CID 42606882) is N-[1-[[(1R)-1-[4-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-[[(1R)-1-[4-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-[[(1R)-1-[4-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide is CC1C=CC(C)N1C(=O)c1ccc([C@@H](C)NC(=O)C2(NC(=O)c3cncnc3)CC2)cc1.
What is the InChIKey of N-[1-[[(1R)-1-[4-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide?
The InChIKey is APDMNTGVTZPBJK-OFLPRAFFSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-15-4-5-16(2)29(15)22(31)19-8-6-18(7-9-19)17(3)27-23(32)24(10-11-24)28-21(30)20-12-25-14-26-13-20/h4-9,12-17H,10-11H2,1-3H3,(H,27,32)(H,28,30)/t15?,16?,17-/m1/s1.
What are the key properties of N-[1-[[(1R)-1-[4-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide?
N-[1-[[(1R)-1-[4-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(1R)-1-[4-(2,5-dimethyl-2,5-dihydropyrrole-1-carbonyl)phenyl]ethyl]carbamoyl]cyclopropyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 42606882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).