N-[(3R)-1-[2-(3-amino-5-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidin-3-yl]acetamide;hydrochloride

C21H26ClN7O — CID 118977253

IUPACN-[(3R)-1-[2-(3-amino-5-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidin-3-yl]acetamide;hydrochloride
SMILESCC(=O)N[C@@H]1CCCN(c2nc(Nc3cc(N)cc(C#N)c3)nc3c2CCC3)C1.Cl
InChIInChI=1S/C21H25N7O.ClH/c1-13(29)24-16-4-3-7-28(12-16)20-18-5-2-6-19(18)26-21(27-20)25-17-9-14(11-22)8-15(23)10-17;/h8-10,16H,2-7,12,23H2,1H3,(H,24,29)(H,25,26,27);1H/t16-;/m1./s1
InChIKeyGUKQZJPAIUFSIQ-PKLMIRHRSA-N
MW427.94 g/mol
LogP2.69
Rot. Bonds4

About N-[(3R)-1-[2-(3-amino-5-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidin-3-yl]acetamide;hydrochloride

N-[(3R)-1-[2-(3-amino-5-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidin-3-yl]acetamide;hydrochloride (PubChem CID 118977253) has the molecular formula C21H26ClN7O and a molecular weight of 427.94 g/mol. Its IUPAC name is N-[(3R)-1-[2-(3-amino-5-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidin-3-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R)-1-[2-(3-amino-5-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidin-3-yl]acetamide;hydrochloride
PubChem CID118977253
Molecular FormulaC21H26ClN7O
Molecular Weight427.94 g/mol
Exact Mass427.19
IUPAC NameN-[(3R)-1-[2-(3-amino-5-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidin-3-yl]acetamide;hydrochloride
SMILESCC(=O)N[C@@H]1CCCN(c2nc(Nc3cc(N)cc(C#N)c3)nc3c2CCC3)C1.Cl
InChIInChI=1S/C21H25N7O.ClH/c1-13(29)24-16-4-3-7-28(12-16)20-18-5-2-6-19(18)26-21(27-20)25-17-9-14(11-22)8-15(23)10-17;/h8-10,16H,2-7,12,23H2,1H3,(H,24,29)(H,25,26,27);1H/t16-;/m1./s1
InChIKeyGUKQZJPAIUFSIQ-PKLMIRHRSA-N
XLogP2.69
TPSA119.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(3R)-1-[2-(3-amino-5-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidin-3-yl]acetamide;hydrochloride 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-[1-[2-(3-amino-5-cyanoanilino)-5,6,7,8-tetrahydroquinazolin-4-yl]piperidin-3-yl]acetamide
CID 118977179
N-[1-[2-(3-amino-5-cyanoanilino)-8-methylquinazolin-4-yl]piperidin-3-yl]acetamide;hydrochloride
CID 118977092
N-[1-[2-(3-amino-5-cyanoanilino)pyrido[3,2-d]pyrimidin-4-yl]piperidin-3-yl]acetamide;hydrochloride
CID 118976843
N-[(3R)-1-[2-(3-cyano-4-fluoroanilino)-5,6,7,8-tetrahydroquinazolin-4-yl]piperidin-3-yl]acetamide
CID 118977226
N-[(3R)-1-[2-[4-amino-3-(trifluoromethyl)anilino]-5,6,7,8-tetrahydroquinazolin-4-yl]piperidin-3-yl]acetamide;hydrochloride
CID 118977339
N-[1-[2-[4-amino-3-(trifluoromethyl)anilino]-5,6,7,8-tetrahydroquinazolin-4-yl]piperidin-3-yl]acetamide;hydrochloride
CID 118977340
N-[1-[2-(3-amino-5-cyanoanilino)-7-chloroquinazolin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride
CID 118976857
2-methyl-5-[[4-[(3R)-3-(methylamino)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]amino]benzonitrile;dihydrochloride
CID 118977378
N-[(3S)-1-[2-(4-amino-3-nitroanilino)-5,6,7,8-tetrahydroquinazolin-4-yl]pyrrolidin-3-yl]acetamide;hydrochloride
CID 118976895
N-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-5,6,7,8-tetrahydroquinazolin-4-yl]pyrrolidin-3-yl]acetamide
CID 118977285
1-[2-(3-amino-5-chloroanilino)-5,6,7,8-tetrahydroquinazolin-4-yl]-N-methylpiperidine-3-carboxamide
CID 118976910
3-N-[4-[3-(methylamino)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-5-(trifluoromethyl)benzene-1,3-diamine
CID 140708689

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[2-(3-amino-5-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidin-3-yl]acetamide;hydrochloride?
The IUPAC name of N-[(3R)-1-[2-(3-amino-5-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidin-3-yl]acetamide;hydrochloride (CID 118977253) is N-[(3R)-1-[2-(3-amino-5-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidin-3-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[(3R)-1-[2-(3-amino-5-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidin-3-yl]acetamide;hydrochloride?
The canonical SMILES for N-[(3R)-1-[2-(3-amino-5-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidin-3-yl]acetamide;hydrochloride is CC(=O)N[C@@H]1CCCN(c2nc(Nc3cc(N)cc(C#N)c3)nc3c2CCC3)C1.Cl.
What is the InChIKey of N-[(3R)-1-[2-(3-amino-5-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidin-3-yl]acetamide;hydrochloride?
The InChIKey is GUKQZJPAIUFSIQ-PKLMIRHRSA-N. The full InChI is InChI=1S/C21H25N7O.ClH/c1-13(29)24-16-4-3-7-28(12-16)20-18-5-2-6-19(18)26-21(27-20)25-17-9-14(11-22)8-15(23)10-17;/h8-10,16H,2-7,12,23H2,1H3,(H,24,29)(H,25,26,27);1H/t16-;/m1./s1.
What are the key properties of N-[(3R)-1-[2-(3-amino-5-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidin-3-yl]acetamide;hydrochloride?
N-[(3R)-1-[2-(3-amino-5-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidin-3-yl]acetamide;hydrochloride has a molecular weight of 427.94 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[2-(3-amino-5-cyanoanilino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperidin-3-yl]acetamide;hydrochloride is sourced from PubChem (CID 118977253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).