[1-[5-[[3-(4-chloroanilino)-4-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamic acid

C23H23ClN6O3 — CID 90418052

IUPAC[1-[5-[[3-(4-chloroanilino)-4-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(c2ccc(C(=O)Nc3ccncc3Nc3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C23H23ClN6O3/c24-16-2-4-17(5-3-16)27-20-14-25-10-7-19(20)29-22(31)15-1-6-21(26-13-15)30-11-8-18(9-12-30)28-23(32)33/h1-7,10,13-14,18,27-28H,8-9,11-12H2,(H,32,33)(H,25,29,31)
InChIKeyMSACNCINSGPNSF-UHFFFAOYSA-N
MW466.93 g/mol
LogP4.36
Rot. Bonds6

About [1-[5-[[3-(4-chloroanilino)-4-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamic acid

[1-[5-[[3-(4-chloroanilino)-4-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamic acid (PubChem CID 90418052) has the molecular formula C23H23ClN6O3 and a molecular weight of 466.93 g/mol. Its IUPAC name is [1-[5-[[3-(4-chloroanilino)-4-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[5-[[3-(4-chloroanilino)-4-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamic acid
PubChem CID90418052
Molecular FormulaC23H23ClN6O3
Molecular Weight466.93 g/mol
Exact Mass466.15
IUPAC Name[1-[5-[[3-(4-chloroanilino)-4-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamic acid
SMILESO=C(O)NC1CCN(c2ccc(C(=O)Nc3ccncc3Nc3ccc(Cl)cc3)cn2)CC1
InChIInChI=1S/C23H23ClN6O3/c24-16-2-4-17(5-3-16)27-20-14-25-10-7-19(20)29-22(31)15-1-6-21(26-13-15)30-11-8-18(9-12-30)28-23(32)33/h1-7,10,13-14,18,27-28H,8-9,11-12H2,(H,32,33)(H,25,29,31)
InChIKeyMSACNCINSGPNSF-UHFFFAOYSA-N
XLogP4.36
TPSA119.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.93
LogP ≤ 54.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze [1-[5-[[3-(4-chloroanilino)-4-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamic acid 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-[3-(4-chloroanilino)-4-pyridinyl]-6-(morpholin-4-ylmethyl)pyridine-3-carboxamide
CID 90418118
[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 69360370
N-[3-(4-chloroanilino)-4-pyridinyl]-2-(3-oxopiperazin-1-yl)pyrimidine-5-carboxamide
CID 90417805
6-(4-acetylpiperazin-1-yl)-N-[4-chloro-3-(4-chloroanilino)phenyl]pyridine-3-carboxamide
CID 69263012
N-(2,4-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152594
N-(2,5-dichlorophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152595
N-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 34232545
N-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152557
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152592
N-(4-acetamidophenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152569
N-[3-(4-chloro-2-fluoroanilino)-4-pyridinyl]-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
CID 90433890
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-[(6-methyl-3-pyridinyl)amino]-4-pyridinyl]pyrimidine-5-carboxamide
CID 90433875

Frequently Asked Questions

What is the IUPAC name of [1-[5-[[3-(4-chloroanilino)-4-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[5-[[3-(4-chloroanilino)-4-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamic acid (CID 90418052) is [1-[5-[[3-(4-chloroanilino)-4-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[5-[[3-(4-chloroanilino)-4-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[5-[[3-(4-chloroanilino)-4-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamic acid is O=C(O)NC1CCN(c2ccc(C(=O)Nc3ccncc3Nc3ccc(Cl)cc3)cn2)CC1.
What is the InChIKey of [1-[5-[[3-(4-chloroanilino)-4-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamic acid?
The InChIKey is MSACNCINSGPNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O3/c24-16-2-4-17(5-3-16)27-20-14-25-10-7-19(20)29-22(31)15-1-6-21(26-13-15)30-11-8-18(9-12-30)28-23(32)33/h1-7,10,13-14,18,27-28H,8-9,11-12H2,(H,32,33)(H,25,29,31).
What are the key properties of [1-[5-[[3-(4-chloroanilino)-4-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamic acid?
[1-[5-[[3-(4-chloroanilino)-4-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamic acid has a molecular weight of 466.93 g/mol, XLogP of 4.36, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[[3-(4-chloroanilino)-4-pyridinyl]carbamoyl]-2-pyridinyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 90418052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).