N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride

C22H31ClN4O2 — CID 120603680

IUPACN-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)Nc2ccccc2C(=O)NCCN)c(C)n1C1CCCCC1.Cl
InChIInChI=1S/C22H30N4O2.ClH/c1-15-14-19(16(2)26(15)17-8-4-3-5-9-17)22(28)25-20-11-7-6-10-18(20)21(27)24-13-12-23;/h6-7,10-11,14,17H,3-5,8-9,12-13,23H2,1-2H3,(H,24,27)(H,25,28);1H
InChIKeyUTBBKCQHRGMWIS-UHFFFAOYSA-N
MW418.97 g/mol
LogP3.97
Rot. Bonds6

About N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride

N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride (PubChem CID 120603680) has the molecular formula C22H31ClN4O2 and a molecular weight of 418.97 g/mol. Its IUPAC name is N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
PubChem CID120603680
Molecular FormulaC22H31ClN4O2
Molecular Weight418.97 g/mol
Exact Mass418.21
IUPAC NameN-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)Nc2ccccc2C(=O)NCCN)c(C)n1C1CCCCC1.Cl
InChIInChI=1S/C22H30N4O2.ClH/c1-15-14-19(16(2)26(15)17-8-4-3-5-9-17)22(28)25-20-11-7-6-10-18(20)21(27)24-13-12-23;/h6-7,10-11,14,17H,3-5,8-9,12-13,23H2,1-2H3,(H,24,27)(H,25,28);1H
InChIKeyUTBBKCQHRGMWIS-UHFFFAOYSA-N
XLogP3.97
TPSA89.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.97
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
CID 119383110
N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 120604417
1-cyclohexyl-2,5-dimethyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride
CID 119556387
1-cyclohexyl-N-[2-(furan-2-yl)ethyl]-2,5-dimethylpyrrole-3-carboxamide
CID 55483175
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120604507
N-(2-aminoethyl)-2-[[2-[(2-cyclohexylacetyl)amino]acetyl]amino]benzamide;hydrochloride
CID 120604302
N-(2-aminoethyl)-2-[(2-cycloheptylacetyl)amino]benzamide
CID 120604092
1-cyclopropyl-N-[2-(2-fluorophenyl)ethyl]-2,5-dimethylpyrrole-3-carboxamide
CID 34729662
N-(1-amino-2-methylpropan-2-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119522503
N-(2-amino-5-methoxyphenyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
CID 119420979
N-[2-(2-aminoethylcarbamoyl)phenyl]-1,5-dimethylpyrazole-4-carboxamide
CID 120604390
1-cyclopropyl-N-[(2-fluorophenyl)methyl]-2,5-dimethylpyrrole-3-carboxamide
CID 9456045

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride (CID 120603680) is N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride is Cc1cc(C(=O)Nc2ccccc2C(=O)NCCN)c(C)n1C1CCCCC1.Cl.
What is the InChIKey of N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride?
The InChIKey is UTBBKCQHRGMWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2.ClH/c1-15-14-19(16(2)26(15)17-8-4-3-5-9-17)22(28)25-20-11-7-6-10-18(20)21(27)24-13-12-23;/h6-7,10-11,14,17H,3-5,8-9,12-13,23H2,1-2H3,(H,24,27)(H,25,28);1H.
What are the key properties of N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride?
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride has a molecular weight of 418.97 g/mol, XLogP of 3.97, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylcarbamoyl)phenyl]-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 120603680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).