2-(carbamoylamino)-N-[(1R,3R)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]acetamide

C17H21N7O2 — CID 133110462

IUPAC2-(carbamoylamino)-N-[(1R,3R)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]acetamide
SMILESNC(=O)NCC(=O)N[C@@H]1CC[C@@H](Nc2nccc(-c3cccnc3)n2)C1
InChIInChI=1S/C17H21N7O2/c18-16(26)21-10-15(25)22-12-3-4-13(8-12)23-17-20-7-5-14(24-17)11-2-1-6-19-9-11/h1-2,5-7,9,12-13H,3-4,8,10H2,(H,22,25)(H3,18,21,26)(H,20,23,24)/t12-,13-/m1/s1
InChIKeyHZCWVMHMXDDQRI-CHWSQXEVSA-N
MW355.40 g/mol
LogP0.66
Rot. Bonds6

About 2-(carbamoylamino)-N-[(1R,3R)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]acetamide

2-(carbamoylamino)-N-[(1R,3R)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]acetamide (PubChem CID 133110462) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-[(1R,3R)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-[(1R,3R)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]acetamide
PubChem CID133110462
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name2-(carbamoylamino)-N-[(1R,3R)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]acetamide
SMILESNC(=O)NCC(=O)N[C@@H]1CC[C@@H](Nc2nccc(-c3cccnc3)n2)C1
InChIInChI=1S/C17H21N7O2/c18-16(26)21-10-15(25)22-12-3-4-13(8-12)23-17-20-7-5-14(24-17)11-2-1-6-19-9-11/h1-2,5-7,9,12-13H,3-4,8,10H2,(H,22,25)(H3,18,21,26)(H,20,23,24)/t12-,13-/m1/s1
InChIKeyHZCWVMHMXDDQRI-CHWSQXEVSA-N
XLogP0.66
TPSA134.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-(carbamoylamino)-N-[(1R,3R)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 56883043
6-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide
CID 56891500
3-methyl-N-[(1S,3S)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]imidazole-4-carboxamide
CID 56884150
3-[(4-phenylpyrimidin-2-yl)amino]cyclohexane-1-carboxamide
CID 117073719
[(3R)-3-[(5-chloro-4-pyridin-3-ylpyrimidin-2-yl)amino]cyclohexyl]carbamic acid
CID 118024247
4-methyl-N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]pyrimidine-5-carboxamide
CID 56882621
N-[(1S,3S)-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]cyclopentyl]-1,2-oxazole-3-carboxamide
CID 56884764
N-[(1S,3S)-3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]cyclopentyl]pyridine-4-carboxamide
CID 56912752
(4S)-1-propyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]pyrrolidin-2-one
CID 97444975
N-[2-(cyclopentylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 110705401
tert-butyl N-[(1R,3S)-3-[(5-chloro-4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]carbamate;cis-(1R,3S)-3-N-(5-chloro-4-pyridin-3-ylpyrimidin-2-yl)cyclopentane-1,3-diamine;hydrochloride
CID 160585525
N-methyl-4-(4-pyridin-3-ylpyrimidin-2-yl)cyclohexan-1-amine
CID 116899139

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-[(1R,3R)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]acetamide?
The IUPAC name of 2-(carbamoylamino)-N-[(1R,3R)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]acetamide (CID 133110462) is 2-(carbamoylamino)-N-[(1R,3R)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]acetamide.
What is the SMILES notation for 2-(carbamoylamino)-N-[(1R,3R)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]acetamide?
The canonical SMILES for 2-(carbamoylamino)-N-[(1R,3R)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]acetamide is NC(=O)NCC(=O)N[C@@H]1CC[C@@H](Nc2nccc(-c3cccnc3)n2)C1.
What is the InChIKey of 2-(carbamoylamino)-N-[(1R,3R)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]acetamide?
The InChIKey is HZCWVMHMXDDQRI-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H21N7O2/c18-16(26)21-10-15(25)22-12-3-4-13(8-12)23-17-20-7-5-14(24-17)11-2-1-6-19-9-11/h1-2,5-7,9,12-13H,3-4,8,10H2,(H,22,25)(H3,18,21,26)(H,20,23,24)/t12-,13-/m1/s1.
What are the key properties of 2-(carbamoylamino)-N-[(1R,3R)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]acetamide?
2-(carbamoylamino)-N-[(1R,3R)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]acetamide has a molecular weight of 355.40 g/mol, XLogP of 0.66, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-[(1R,3R)-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]cyclopentyl]acetamide is sourced from PubChem (CID 133110462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).