1-(3,5-dichlorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide

C23H27Cl2N5O2 — CID 55912514

IUPAC1-(3,5-dichlorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESCN1CCN(c2cc(CNC(=O)C3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)ccn2)CC1
InChIInChI=1S/C23H27Cl2N5O2/c1-28-7-9-29(10-8-28)21-11-16(4-5-26-21)15-27-22(31)20-3-2-6-30(20)23(32)17-12-18(24)14-19(25)13-17/h4-5,11-14,20H,2-3,6-10,15H2,1H3,(H,27,31)
InChIKeyKLUKUGFERJUDSZ-UHFFFAOYSA-N
MW476.41 g/mol
LogP3.06
Rot. Bonds5

About 1-(3,5-dichlorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide

1-(3,5-dichlorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 55912514) has the molecular formula C23H27Cl2N5O2 and a molecular weight of 476.41 g/mol. Its IUPAC name is 1-(3,5-dichlorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(3,5-dichlorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
PubChem CID55912514
Molecular FormulaC23H27Cl2N5O2
Molecular Weight476.41 g/mol
Exact Mass475.15
IUPAC Name1-(3,5-dichlorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESCN1CCN(c2cc(CNC(=O)C3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)ccn2)CC1
InChIInChI=1S/C23H27Cl2N5O2/c1-28-7-9-29(10-8-28)21-11-16(4-5-26-21)15-27-22(31)20-3-2-6-30(20)23(32)17-12-18(24)14-19(25)13-17/h4-5,11-14,20H,2-3,6-10,15H2,1H3,(H,27,31)
InChIKeyKLUKUGFERJUDSZ-UHFFFAOYSA-N
XLogP3.06
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,5-dichlorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]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

1-(3,5-dichlorobenzoyl)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 55637087
1-(3,5-dichlorobenzoyl)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 55840725
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55742798
N-[[4-(carbamoylamino)phenyl]methyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 55615927
(2S)-1-(3,5-dichlorobenzoyl)-N-[[4-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 95283981
3-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;trihydrochloride
CID 119901475
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
(2S)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 94889865
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 78889575
(2S)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 47066876
1-(3,5-dichlorobenzoyl)-N-[3-(methylamino)propyl]pyrrolidine-2-carboxamide
CID 119429601
1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94026803

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(3,5-dichlorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide (CID 55912514) is 1-(3,5-dichlorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(3,5-dichlorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(3,5-dichlorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide is CN1CCN(c2cc(CNC(=O)C3CCCN3C(=O)c3cc(Cl)cc(Cl)c3)ccn2)CC1.
What is the InChIKey of 1-(3,5-dichlorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is KLUKUGFERJUDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2N5O2/c1-28-7-9-29(10-8-28)21-11-16(4-5-26-21)15-27-22(31)20-3-2-6-30(20)23(32)17-12-18(24)14-19(25)13-17/h4-5,11-14,20H,2-3,6-10,15H2,1H3,(H,27,31).
What are the key properties of 1-(3,5-dichlorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide?
1-(3,5-dichlorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 476.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 55912514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).