4-(benzylamino)-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]pyridine-3-carboxamide

C26H30N6O2 — CID 131704460

IUPAC4-(benzylamino)-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]pyridine-3-carboxamide
SMILESCN1CCC(NC(=O)c2ccc(Nc3cc(NCc4ccccc4)c(C(N)=O)cn3)cc2)CC1
InChIInChI=1S/C26H30N6O2/c1-32-13-11-21(12-14-32)31-26(34)19-7-9-20(10-8-19)30-24-15-23(22(17-29-24)25(27)33)28-16-18-5-3-2-4-6-18/h2-10,15,17,21H,11-14,16H2,1H3,(H2,27,33)(H,31,34)(H2,28,29,30)
InChIKeyNYSLPKXXILEKDL-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.36
Rot. Bonds8

About 4-(benzylamino)-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]pyridine-3-carboxamide

4-(benzylamino)-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]pyridine-3-carboxamide (PubChem CID 131704460) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 4-(benzylamino)-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(benzylamino)-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]pyridine-3-carboxamide
PubChem CID131704460
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name4-(benzylamino)-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]pyridine-3-carboxamide
SMILESCN1CCC(NC(=O)c2ccc(Nc3cc(NCc4ccccc4)c(C(N)=O)cn3)cc2)CC1
InChIInChI=1S/C26H30N6O2/c1-32-13-11-21(12-14-32)31-26(34)19-7-9-20(10-8-19)30-24-15-23(22(17-29-24)25(27)33)28-16-18-5-3-2-4-6-18/h2-10,15,17,21H,11-14,16H2,1H3,(H2,27,33)(H,31,34)(H2,28,29,30)
InChIKeyNYSLPKXXILEKDL-UHFFFAOYSA-N
XLogP3.36
TPSA112.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-(benzylamino)-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]pyridine-3-carboxamide?
The IUPAC name of 4-(benzylamino)-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]pyridine-3-carboxamide (CID 131704460) is 4-(benzylamino)-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]pyridine-3-carboxamide.
What is the SMILES notation for 4-(benzylamino)-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]pyridine-3-carboxamide?
The canonical SMILES for 4-(benzylamino)-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]pyridine-3-carboxamide is CN1CCC(NC(=O)c2ccc(Nc3cc(NCc4ccccc4)c(C(N)=O)cn3)cc2)CC1.
What is the InChIKey of 4-(benzylamino)-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]pyridine-3-carboxamide?
The InChIKey is NYSLPKXXILEKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-32-13-11-21(12-14-32)31-26(34)19-7-9-20(10-8-19)30-24-15-23(22(17-29-24)25(27)33)28-16-18-5-3-2-4-6-18/h2-10,15,17,21H,11-14,16H2,1H3,(H2,27,33)(H,31,34)(H2,28,29,30).
What are the key properties of 4-(benzylamino)-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]pyridine-3-carboxamide?
4-(benzylamino)-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]pyridine-3-carboxamide has a molecular weight of 458.57 g/mol, XLogP of 3.36, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-6-[4-[(1-methylpiperidin-4-yl)carbamoyl]anilino]pyridine-3-carboxamide is sourced from PubChem (CID 131704460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).