1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-(1-methylpiperidin-4-yl)acetyl]-N-methylpyrrolidine-2-carboxamide

C19H34N6O2 — CID 163303063

IUPAC1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-(1-methylpiperidin-4-yl)acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C(C1CCN(C)CC1)N(N)/C=C(\N)C1CC1
InChIInChI=1S/C19H34N6O2/c1-22-18(26)16-4-3-9-24(16)19(27)17(14-7-10-23(2)11-8-14)25(21)12-15(20)13-5-6-13/h12-14,16-17H,3-11,20-21H2,1-2H3,(H,22,26)/b15-12-
InChIKeyORFGGMPNNRSKTC-QINSGFPZSA-N
MW378.52 g/mol
LogP-0.18
Rot. Bonds6

About 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-(1-methylpiperidin-4-yl)acetyl]-N-methylpyrrolidine-2-carboxamide

1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-(1-methylpiperidin-4-yl)acetyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 163303063) has the molecular formula C19H34N6O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-(1-methylpiperidin-4-yl)acetyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-(1-methylpiperidin-4-yl)acetyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID163303063
Molecular FormulaC19H34N6O2
Molecular Weight378.52 g/mol
Exact Mass378.27
IUPAC Name1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-(1-methylpiperidin-4-yl)acetyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C(C1CCN(C)CC1)N(N)/C=C(\N)C1CC1
InChIInChI=1S/C19H34N6O2/c1-22-18(26)16-4-3-9-24(16)19(27)17(14-7-10-23(2)11-8-14)25(21)12-15(20)13-5-6-13/h12-14,16-17H,3-11,20-21H2,1-2H3,(H,22,26)/b15-12-
InChIKeyORFGGMPNNRSKTC-QINSGFPZSA-N
XLogP-0.18
TPSA107.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-(2-fluoroethyl)pyrrolidine-2-carboxamide
CID 163303010
1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 167071940
(8Z)-8,10-diamino-17-cyclohexyl-1,10,15,18-tetrazabicyclo[18.3.0]tricos-8-ene-2,16,19-trione
CID 139565559
(9Z)-8,10-diamino-16-cyclohexyl-1,8,14,17-tetrazabicyclo[17.3.0]docos-9-ene-2,15,18-trione
CID 139565560
1-[(Z)-6-amino-7-[amino(4-formamidobutyl)amino]hept-6-enoyl]-N-(1-cyclohexylethyl)pyrrolidine-2-carboxamide
CID 139565568
2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 163300517
(Z)-2-[amino(3-methylbut-2-en-2-yl)amino]-1-cyclopropylethenamine;1-formyl-N-methylpyrrolidine-2-carboxamide
CID 163302845
2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 163302875
1-[2-[amino-[(Z)-2-amino-2-cyclobutylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
CID 163302890
2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;N-propan-2-ylformamide
CID 163302899
1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
CID 163302919
1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-ethylpyrrolidine-2-carboxamide
CID 163302930

Frequently Asked Questions

What is the IUPAC name of 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-(1-methylpiperidin-4-yl)acetyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-(1-methylpiperidin-4-yl)acetyl]-N-methylpyrrolidine-2-carboxamide (CID 163303063) is 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-(1-methylpiperidin-4-yl)acetyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-(1-methylpiperidin-4-yl)acetyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-(1-methylpiperidin-4-yl)acetyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)C(C1CCN(C)CC1)N(N)/C=C(\N)C1CC1.
What is the InChIKey of 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-(1-methylpiperidin-4-yl)acetyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is ORFGGMPNNRSKTC-QINSGFPZSA-N. The full InChI is InChI=1S/C19H34N6O2/c1-22-18(26)16-4-3-9-24(16)19(27)17(14-7-10-23(2)11-8-14)25(21)12-15(20)13-5-6-13/h12-14,16-17H,3-11,20-21H2,1-2H3,(H,22,26)/b15-12-.
What are the key properties of 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-(1-methylpiperidin-4-yl)acetyl]-N-methylpyrrolidine-2-carboxamide?
1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-(1-methylpiperidin-4-yl)acetyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 378.52 g/mol, XLogP of -0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-2-(1-methylpiperidin-4-yl)acetyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 163303063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).