N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride

C16H23ClN4O2 — CID 119743688

IUPACN-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCc2cccc(NC(=O)N3CCCC3)c2)CC1
InChIInChI=1S/C16H22N4O2.ClH/c17-16(6-7-16)14(21)18-11-12-4-3-5-13(10-12)19-15(22)20-8-1-2-9-20;/h3-5,10H,1-2,6-9,11,17H2,(H,18,21)(H,19,22);1H
InChIKeyZIRVAGROEDHZPC-UHFFFAOYSA-N
MW338.84 g/mol
LogP1.84
Rot. Bonds4

About N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride

N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride (PubChem CID 119743688) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride
PubChem CID119743688
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC NameN-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCc2cccc(NC(=O)N3CCCC3)c2)CC1
InChIInChI=1S/C16H22N4O2.ClH/c17-16(6-7-16)14(21)18-11-12-4-3-5-13(10-12)19-15(22)20-8-1-2-9-20;/h3-5,10H,1-2,6-9,11,17H2,(H,18,21)(H,19,22);1H
InChIKeyZIRVAGROEDHZPC-UHFFFAOYSA-N
XLogP1.84
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 119706274
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CID 119280076
N-[3-[[[2-(4-aminophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 119743695
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 119710727
N-[3-[[4-(methylamino)butanoylamino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride
CID 119743696
N-[3-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride
CID 119743712
N-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 112725657
N-[3-[[[2-(2,6-dichlorophenyl)acetyl]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 60524787
N-[3-(hydroxymethyl)phenyl]azepane-1-carboxamide
CID 79151936
1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 119334714
1-amino-N-[[3-(3-methylbutanoylamino)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119301492
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-4-methylbenzamide
CID 119740472

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride?
The IUPAC name of N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride (CID 119743688) is N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride is Cl.NC1(C(=O)NCc2cccc(NC(=O)N3CCCC3)c2)CC1.
What is the InChIKey of N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride?
The InChIKey is ZIRVAGROEDHZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.ClH/c17-16(6-7-16)14(21)18-11-12-4-3-5-13(10-12)19-15(22)20-8-1-2-9-20;/h3-5,10H,1-2,6-9,11,17H2,(H,18,21)(H,19,22);1H.
What are the key properties of N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride?
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 119743688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).