N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1-propylpyrrole-2-carboxamide

C14H22ClN3O — CID 116651891

IUPACN-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)N(C)C(CN)C1CC1
InChIInChI=1S/C14H22ClN3O/c1-3-6-18-9-11(15)7-12(18)14(19)17(2)13(8-16)10-4-5-10/h7,9-10,13H,3-6,8,16H2,1-2H3
InChIKeyNPHYITUSNYAKFR-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.36
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1-propylpyrrole-2-carboxamide

N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1-propylpyrrole-2-carboxamide (PubChem CID 116651891) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1-propylpyrrole-2-carboxamide
PubChem CID116651891
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Cl)cc1C(=O)N(C)C(CN)C1CC1
InChIInChI=1S/C14H22ClN3O/c1-3-6-18-9-11(15)7-12(18)14(19)17(2)13(8-16)10-4-5-10/h7,9-10,13H,3-6,8,16H2,1-2H3
InChIKeyNPHYITUSNYAKFR-UHFFFAOYSA-N
XLogP2.36
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Lazabemide
CID 71307
Lazabemide Hydrochloride
CID 163727
1-[(2-Chlorophenyl)methyl]pyrrole-2-carboxamide
CID 3239748
N-cyclohexyl-1-methylpyrrole-2-carboxamide
CID 24978957
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide
CID 24817966
N-[2-(4-chlorophenyl)ethyl]-1-methyl-1H-pyrrole-2-carboxamide
CID 24820012
1-methyl-N-(4-methylcyclohexyl)-2-pyrrolecarboxamide
CID 25161651
N-[(2-chloro-6-fluorophenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 25189693
N-[(2-chloro-6-fluorophenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 25189694
N-[(1S)-1-(2-chloro-6-fluorophenyl)ethyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 25189699
N-(cyclohexylmethyl)-1-methylpyrrole-2-carboxamide
CID 24819634
1-(3-Chlorobenzyl)-1H-pyrrole-2-carboxamide
CID 5071699

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1-propylpyrrole-2-carboxamide (CID 116651891) is N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1-propylpyrrole-2-carboxamide is CCCn1cc(Cl)cc1C(=O)N(C)C(CN)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1-propylpyrrole-2-carboxamide?
The InChIKey is NPHYITUSNYAKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-3-6-18-9-11(15)7-12(18)14(19)17(2)13(8-16)10-4-5-10/h7,9-10,13H,3-6,8,16H2,1-2H3.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1-propylpyrrole-2-carboxamide?
N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1-propylpyrrole-2-carboxamide has a molecular weight of 283.80 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-chloro-N-methyl-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 116651891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).