1-[[2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide

C21H31N5O3 — CID 56547610

IUPAC1-[[2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1ccccc1NC(=O)CNC(=O)NCC1CCCC1
InChIInChI=1S/C21H31N5O3/c22-20(28)18-10-5-11-26(18)14-16-8-3-4-9-17(16)25-19(27)13-24-21(29)23-12-15-6-1-2-7-15/h3-4,8-9,15,18H,1-2,5-7,10-14H2,(H2,22,28)(H,25,27)(H2,23,24,29)
InChIKeySYXQPXXVZZAOOC-UHFFFAOYSA-N
MW401.51 g/mol
LogP1.56
Rot. Bonds8

About 1-[[2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide

1-[[2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 56547610) has the molecular formula C21H31N5O3 and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[[2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[[2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
PubChem CID56547610
Molecular FormulaC21H31N5O3
Molecular Weight401.51 g/mol
Exact Mass401.24
IUPAC Name1-[[2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1ccccc1NC(=O)CNC(=O)NCC1CCCC1
InChIInChI=1S/C21H31N5O3/c22-20(28)18-10-5-11-26(18)14-16-8-3-4-9-17(16)25-19(27)13-24-21(29)23-12-15-6-1-2-7-15/h3-4,8-9,15,18H,1-2,5-7,10-14H2,(H2,22,28)(H,25,27)(H2,23,24,29)
InChIKeySYXQPXXVZZAOOC-UHFFFAOYSA-N
XLogP1.56
TPSA116.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 51.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[[2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide 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

(2R)-1-[[2-[(4-oxo-4-phenylbutanoyl)amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52526979
methyl 2-[2-[(2-carbamoylpiperidin-1-yl)methyl]phenyl]acetate
CID 115462737
1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
CID 142687635
(2R)-1-[[2-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 52515061
1-[[2-[(4-phenylphenyl)sulfonylamino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 102563725
1-[[2-[[(E)-3-(3-phenylphenyl)prop-2-enoyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 56548081
(2R)-1-[[2-(thiophen-3-ylmethylamino)phenyl]methyl]pyrrolidine-2-carboxamide
CID 97236683
[2-[[2-(2-ethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-cyclopentylacetate
CID 9202919
(2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
CID 95146043
N-[2-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 86886899
2-cyclopentyl-N-[2-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 71896430
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[[2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide (CID 56547610) is 1-[[2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[[2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[[2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1Cc1ccccc1NC(=O)CNC(=O)NCC1CCCC1.
What is the InChIKey of 1-[[2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is SYXQPXXVZZAOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O3/c22-20(28)18-10-5-11-26(18)14-16-8-3-4-9-17(16)25-19(27)13-24-21(29)23-12-15-6-1-2-7-15/h3-4,8-9,15,18H,1-2,5-7,10-14H2,(H2,22,28)(H,25,27)(H2,23,24,29).
What are the key properties of 1-[[2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide?
1-[[2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 1.56, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[[2-(cyclopentylmethylcarbamoylamino)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56547610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).