N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide

C25H23Cl2N5O2 — CID 67030334

IUPACN-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C25H23Cl2N5O2/c1-14-17(7-9-23(28)30-14)13-29-24(33)21(11-15-6-8-18(26)19(27)10-15)32-25(34)22-12-16-4-2-3-5-20(16)31-22/h2-10,12,21,31H,11,13H2,1H3,(H2,28,30)(H,29,33)(H,32,34)/t21-/m0/s1
InChIKeyHBRCESMJLFIXFP-NRFANRHFSA-N
MW496.40 g/mol
LogP4.42
Rot. Bonds7

About N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide

N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide (PubChem CID 67030334) has the molecular formula C25H23Cl2N5O2 and a molecular weight of 496.40 g/mol. Its IUPAC name is N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
PubChem CID67030334
Molecular FormulaC25H23Cl2N5O2
Molecular Weight496.40 g/mol
Exact Mass495.12
IUPAC NameN-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
SMILESCc1nc(N)ccc1CNC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C25H23Cl2N5O2/c1-14-17(7-9-23(28)30-14)13-29-24(33)21(11-15-6-8-18(26)19(27)10-15)32-25(34)22-12-16-4-2-3-5-20(16)31-22/h2-10,12,21,31H,11,13H2,1H3,(H2,28,30)(H,29,33)(H,32,34)/t21-/m0/s1
InChIKeyHBRCESMJLFIXFP-NRFANRHFSA-N
XLogP4.42
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.40
LogP ≤ 54.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-1H-indole-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

N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-3-(3,4-difluorophenyl)-1-oxopropan-2-yl]-3-methyl-1H-pyrrole-2-carboxamide
CID 67030347
N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 67030208
N-[(2-chloro-4-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 46921177
N-[3-hydroxy-1-oxo-1-[[4-(trifluoromethyl)phenyl]methylamino]propan-2-yl]-1H-indole-2-carboxamide
CID 3618443
(2S)-N-[(6-amino-3-pyridinyl)methyl]-3-(3,4-dichlorophenyl)-2-[[2-(methylamino)acetyl]amino]propanamide
CID 67029667
N-[(2S)-1-[(6-amino-3-pyridinyl)methylamino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-3-methyl-2-(methylamino)butanamide
CID 68531576
methyl (2R)-2-[[(2S)-2-(1H-indole-2-carbonylamino)-4-sulfanylbutanoyl]amino]-3-phenylpropanoate
CID 87055155
N-[(2R)-1-(benzylamino)-3-[4-(hydroxyamino)-4-oxobutyl]sulfanyl-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 10389257
ethyl 2-[(6-chloro-5-methyl-1H-indole-2-carbonyl)amino]-3-phenylpropanoate
CID 166376573
N-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]-1H-indole-2-carboxamide
CID 74586245
5-chloro-N-[(2S)-1-(3-methoxypropylamino)-1-oxo-3-phenylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 59753653
N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 9374796

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide (CID 67030334) is N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide is Cc1nc(N)ccc1CNC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
The InChIKey is HBRCESMJLFIXFP-NRFANRHFSA-N. The full InChI is InChI=1S/C25H23Cl2N5O2/c1-14-17(7-9-23(28)30-14)13-29-24(33)21(11-15-6-8-18(26)19(27)10-15)32-25(34)22-12-16-4-2-3-5-20(16)31-22/h2-10,12,21,31H,11,13H2,1H3,(H2,28,30)(H,29,33)(H,32,34)/t21-/m0/s1.
What are the key properties of N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide?
N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 496.40 g/mol, XLogP of 4.42, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(6-amino-2-methyl-3-pyridinyl)methylamino]-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 67030334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).