5-amino-N-[(1S,3R)-3-[4-(2-carbamoylphenyl)phenyl]cyclopentyl]-2-methylidene-4-oxo-1H-pyrimidine-6-carboxamide

C24H25N5O3 — CID 118543407

IUPAC5-amino-N-[(1S,3R)-3-[4-(2-carbamoylphenyl)phenyl]cyclopentyl]-2-methylidene-4-oxo-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)C(N)=C(C(=O)N[C@H]2CC[C@@H](c3ccc(-c4ccccc4C(N)=O)cc3)C2)N1
InChIInChI=1S/C24H25N5O3/c1-13-27-21(20(25)23(31)28-13)24(32)29-17-11-10-16(12-17)14-6-8-15(9-7-14)18-4-2-3-5-19(18)22(26)30/h2-9,16-17,27H,1,10-12,25H2,(H2,26,30)(H,28,31)(H,29,32)/t16-,17+/m1/s1
InChIKeyKSZLIHVKLRAOJD-SJORKVTESA-N
MW431.50 g/mol
LogP1.57
Rot. Bonds5

About 5-amino-N-[(1S,3R)-3-[4-(2-carbamoylphenyl)phenyl]cyclopentyl]-2-methylidene-4-oxo-1H-pyrimidine-6-carboxamide

5-amino-N-[(1S,3R)-3-[4-(2-carbamoylphenyl)phenyl]cyclopentyl]-2-methylidene-4-oxo-1H-pyrimidine-6-carboxamide (PubChem CID 118543407) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 5-amino-N-[(1S,3R)-3-[4-(2-carbamoylphenyl)phenyl]cyclopentyl]-2-methylidene-4-oxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(1S,3R)-3-[4-(2-carbamoylphenyl)phenyl]cyclopentyl]-2-methylidene-4-oxo-1H-pyrimidine-6-carboxamide
PubChem CID118543407
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name5-amino-N-[(1S,3R)-3-[4-(2-carbamoylphenyl)phenyl]cyclopentyl]-2-methylidene-4-oxo-1H-pyrimidine-6-carboxamide
SMILESC=C1NC(=O)C(N)=C(C(=O)N[C@H]2CC[C@@H](c3ccc(-c4ccccc4C(N)=O)cc3)C2)N1
InChIInChI=1S/C24H25N5O3/c1-13-27-21(20(25)23(31)28-13)24(32)29-17-11-10-16(12-17)14-6-8-15(9-7-14)18-4-2-3-5-19(18)22(26)30/h2-9,16-17,27H,1,10-12,25H2,(H2,26,30)(H,28,31)(H,29,32)/t16-,17+/m1/s1
InChIKeyKSZLIHVKLRAOJD-SJORKVTESA-N
XLogP1.57
TPSA139.34 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 51.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-methylidene-4-oxo-N-[(1S,3R)-3-(4-phenylphenyl)cyclopentyl]-1H-pyrimidine-6-carboxamide
CID 118543389
5-amino-4-methylidene-2-oxo-N-[(1S,3R)-3-phenylcyclopentyl]-1H-pyrimidine-6-carboxamide
CID 118543346
5-amino-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide
CID 118543276
5-bromo-4-methylidene-2-oxo-N-(4-phenylcyclohexyl)-1H-pyrimidine-6-carboxamide
CID 118543485
N-(4-hydroxycyclohexyl)-2-phenylbenzamide
CID 39903813
2-(4-bromophenyl)benzamide
CID 15982087
2-(4-sulfanylphenyl)benzamide
CID 123865204
6-[(3-phenylcyclopentyl)amino]pyridine-3-carboxamide
CID 126962294
2-(4-anilinophenyl)benzamide
CID 174939572
5-amino-N-[4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
CID 118543324
2-[4-[4-(propan-2-ylsulfonylamino)piperidin-3-yl]phenyl]benzamide
CID 68544377
3-hydroxy-2-oxo-N-(4-phenylcyclohexyl)-1H-pyridine-4-carboxamide
CID 86730086

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1S,3R)-3-[4-(2-carbamoylphenyl)phenyl]cyclopentyl]-2-methylidene-4-oxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-[(1S,3R)-3-[4-(2-carbamoylphenyl)phenyl]cyclopentyl]-2-methylidene-4-oxo-1H-pyrimidine-6-carboxamide (CID 118543407) is 5-amino-N-[(1S,3R)-3-[4-(2-carbamoylphenyl)phenyl]cyclopentyl]-2-methylidene-4-oxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[(1S,3R)-3-[4-(2-carbamoylphenyl)phenyl]cyclopentyl]-2-methylidene-4-oxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-[(1S,3R)-3-[4-(2-carbamoylphenyl)phenyl]cyclopentyl]-2-methylidene-4-oxo-1H-pyrimidine-6-carboxamide is C=C1NC(=O)C(N)=C(C(=O)N[C@H]2CC[C@@H](c3ccc(-c4ccccc4C(N)=O)cc3)C2)N1.
What is the InChIKey of 5-amino-N-[(1S,3R)-3-[4-(2-carbamoylphenyl)phenyl]cyclopentyl]-2-methylidene-4-oxo-1H-pyrimidine-6-carboxamide?
The InChIKey is KSZLIHVKLRAOJD-SJORKVTESA-N. The full InChI is InChI=1S/C24H25N5O3/c1-13-27-21(20(25)23(31)28-13)24(32)29-17-11-10-16(12-17)14-6-8-15(9-7-14)18-4-2-3-5-19(18)22(26)30/h2-9,16-17,27H,1,10-12,25H2,(H2,26,30)(H,28,31)(H,29,32)/t16-,17+/m1/s1.
What are the key properties of 5-amino-N-[(1S,3R)-3-[4-(2-carbamoylphenyl)phenyl]cyclopentyl]-2-methylidene-4-oxo-1H-pyrimidine-6-carboxamide?
5-amino-N-[(1S,3R)-3-[4-(2-carbamoylphenyl)phenyl]cyclopentyl]-2-methylidene-4-oxo-1H-pyrimidine-6-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 1.57, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1S,3R)-3-[4-(2-carbamoylphenyl)phenyl]cyclopentyl]-2-methylidene-4-oxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 118543407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).