(Z)-4-amino-3-[amino(methyl)amino]-N-[(3-chlorophenyl)-cyclopentylmethyl]but-3-enamide

C17H25ClN4O — CID 170580069

IUPAC(Z)-4-amino-3-[amino(methyl)amino]-N-[(3-chlorophenyl)-cyclopentylmethyl]but-3-enamide
SMILESCN(N)/C(=C\N)CC(=O)NC(c1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C17H25ClN4O/c1-22(20)15(11-19)10-16(23)21-17(12-5-2-3-6-12)13-7-4-8-14(18)9-13/h4,7-9,11-12,17H,2-3,5-6,10,19-20H2,1H3,(H,21,23)/b15-11-
InChIKeyACYDBGIMVHUSPL-PTNGSMBKSA-N
MW336.87 g/mol
LogP2.68
Rot. Bonds6

About (Z)-4-amino-3-[amino(methyl)amino]-N-[(3-chlorophenyl)-cyclopentylmethyl]but-3-enamide

(Z)-4-amino-3-[amino(methyl)amino]-N-[(3-chlorophenyl)-cyclopentylmethyl]but-3-enamide (PubChem CID 170580069) has the molecular formula C17H25ClN4O and a molecular weight of 336.87 g/mol. Its IUPAC name is (Z)-4-amino-3-[amino(methyl)amino]-N-[(3-chlorophenyl)-cyclopentylmethyl]but-3-enamide.

Molecular Properties

Compound Name(Z)-4-amino-3-[amino(methyl)amino]-N-[(3-chlorophenyl)-cyclopentylmethyl]but-3-enamide
PubChem CID170580069
Molecular FormulaC17H25ClN4O
Molecular Weight336.87 g/mol
Exact Mass336.17
IUPAC Name(Z)-4-amino-3-[amino(methyl)amino]-N-[(3-chlorophenyl)-cyclopentylmethyl]but-3-enamide
SMILESCN(N)/C(=C\N)CC(=O)NC(c1cccc(Cl)c1)C1CCCC1
InChIInChI=1S/C17H25ClN4O/c1-22(20)15(11-19)10-16(23)21-17(12-5-2-3-6-12)13-7-4-8-14(18)9-13/h4,7-9,11-12,17H,2-3,5-6,10,19-20H2,1H3,(H,21,23)/b15-11-
InChIKeyACYDBGIMVHUSPL-PTNGSMBKSA-N
XLogP2.68
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-4-amino-3-[amino(methyl)amino]-N-[(3-chlorophenyl)-cyclopentylmethyl]but-3-enamide 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

3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide
CID 170580293
N-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide
CID 170580551
N-[(R)-(3-chlorophenyl)-cyclohexylmethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 124610117
N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 170580748
N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-4-(tetrazol-1-yl)butanamide
CID 170580171
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
(2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide
CID 120795524
[(4-aminocyclohexyl)-(3-chlorophenyl)methyl]carbamic acid
CID 69089641
1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea
CID 170581158
3-acetamido-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclohexane-1-carboxamide
CID 170578738
1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 170580700
N-[(3-chlorophenyl)-cyclooctylmethyl]propan-1-amine
CID 80610112

Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-3-[amino(methyl)amino]-N-[(3-chlorophenyl)-cyclopentylmethyl]but-3-enamide?
The IUPAC name of (Z)-4-amino-3-[amino(methyl)amino]-N-[(3-chlorophenyl)-cyclopentylmethyl]but-3-enamide (CID 170580069) is (Z)-4-amino-3-[amino(methyl)amino]-N-[(3-chlorophenyl)-cyclopentylmethyl]but-3-enamide.
What is the SMILES notation for (Z)-4-amino-3-[amino(methyl)amino]-N-[(3-chlorophenyl)-cyclopentylmethyl]but-3-enamide?
The canonical SMILES for (Z)-4-amino-3-[amino(methyl)amino]-N-[(3-chlorophenyl)-cyclopentylmethyl]but-3-enamide is CN(N)/C(=C\N)CC(=O)NC(c1cccc(Cl)c1)C1CCCC1.
What is the InChIKey of (Z)-4-amino-3-[amino(methyl)amino]-N-[(3-chlorophenyl)-cyclopentylmethyl]but-3-enamide?
The InChIKey is ACYDBGIMVHUSPL-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H25ClN4O/c1-22(20)15(11-19)10-16(23)21-17(12-5-2-3-6-12)13-7-4-8-14(18)9-13/h4,7-9,11-12,17H,2-3,5-6,10,19-20H2,1H3,(H,21,23)/b15-11-.
What are the key properties of (Z)-4-amino-3-[amino(methyl)amino]-N-[(3-chlorophenyl)-cyclopentylmethyl]but-3-enamide?
(Z)-4-amino-3-[amino(methyl)amino]-N-[(3-chlorophenyl)-cyclopentylmethyl]but-3-enamide has a molecular weight of 336.87 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-3-[amino(methyl)amino]-N-[(3-chlorophenyl)-cyclopentylmethyl]but-3-enamide is sourced from PubChem (CID 170580069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).