N-[2-(4-chloroanilino)-3-pyridinyl]-2-(4-methoxyanilino)pyridine-3-carboxamide

C24H20ClN5O2 — CID 118724321

IUPACN-[2-(4-chloroanilino)-3-pyridinyl]-2-(4-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ncccc2C(=O)Nc2cccnc2Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H20ClN5O2/c1-32-19-12-10-18(11-13-19)28-22-20(4-2-14-26-22)24(31)30-21-5-3-15-27-23(21)29-17-8-6-16(25)7-9-17/h2-15H,1H3,(H,26,28)(H,27,29)(H,30,31)
InChIKeyWVELVPYLGSWYQD-UHFFFAOYSA-N
MW445.91 g/mol
LogP5.88
Rot. Bonds7

About N-[2-(4-chloroanilino)-3-pyridinyl]-2-(4-methoxyanilino)pyridine-3-carboxamide

N-[2-(4-chloroanilino)-3-pyridinyl]-2-(4-methoxyanilino)pyridine-3-carboxamide (PubChem CID 118724321) has the molecular formula C24H20ClN5O2 and a molecular weight of 445.91 g/mol. Its IUPAC name is N-[2-(4-chloroanilino)-3-pyridinyl]-2-(4-methoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloroanilino)-3-pyridinyl]-2-(4-methoxyanilino)pyridine-3-carboxamide
PubChem CID118724321
Molecular FormulaC24H20ClN5O2
Molecular Weight445.91 g/mol
Exact Mass445.13
IUPAC NameN-[2-(4-chloroanilino)-3-pyridinyl]-2-(4-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ncccc2C(=O)Nc2cccnc2Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H20ClN5O2/c1-32-19-12-10-18(11-13-19)28-22-20(4-2-14-26-22)24(31)30-21-5-3-15-27-23(21)29-17-8-6-16(25)7-9-17/h2-15H,1H3,(H,26,28)(H,27,29)(H,30,31)
InChIKeyWVELVPYLGSWYQD-UHFFFAOYSA-N
XLogP5.88
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.91
LogP ≤ 55.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloroanilino)-3-pyridinyl]-2-(4-methoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-chloroanilino)-3-pyridinyl]-2-(4-methoxyanilino)pyridine-3-carboxamide (CID 118724321) is N-[2-(4-chloroanilino)-3-pyridinyl]-2-(4-methoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-chloroanilino)-3-pyridinyl]-2-(4-methoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-chloroanilino)-3-pyridinyl]-2-(4-methoxyanilino)pyridine-3-carboxamide is COc1ccc(Nc2ncccc2C(=O)Nc2cccnc2Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[2-(4-chloroanilino)-3-pyridinyl]-2-(4-methoxyanilino)pyridine-3-carboxamide?
The InChIKey is WVELVPYLGSWYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN5O2/c1-32-19-12-10-18(11-13-19)28-22-20(4-2-14-26-22)24(31)30-21-5-3-15-27-23(21)29-17-8-6-16(25)7-9-17/h2-15H,1H3,(H,26,28)(H,27,29)(H,30,31).
What are the key properties of N-[2-(4-chloroanilino)-3-pyridinyl]-2-(4-methoxyanilino)pyridine-3-carboxamide?
N-[2-(4-chloroanilino)-3-pyridinyl]-2-(4-methoxyanilino)pyridine-3-carboxamide has a molecular weight of 445.91 g/mol, XLogP of 5.88, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloroanilino)-3-pyridinyl]-2-(4-methoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 118724321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).