4-(2-chloroanilino)-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide

C18H16ClN5O — CID 129165016

IUPAC4-(2-chloroanilino)-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
SMILESCc1cccc(Nc2cc(Nc3ccccc3Cl)c(C(N)=O)cn2)n1
InChIInChI=1S/C18H16ClN5O/c1-11-5-4-8-16(22-11)24-17-9-15(12(10-21-17)18(20)25)23-14-7-3-2-6-13(14)19/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)
InChIKeyOYWNKAAPXTYEBN-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.02
Rot. Bonds5

About 4-(2-chloroanilino)-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide

4-(2-chloroanilino)-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 129165016) has the molecular formula C18H16ClN5O and a molecular weight of 353.81 g/mol. Its IUPAC name is 4-(2-chloroanilino)-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-chloroanilino)-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
PubChem CID129165016
Molecular FormulaC18H16ClN5O
Molecular Weight353.81 g/mol
Exact Mass353.10
IUPAC Name4-(2-chloroanilino)-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
SMILESCc1cccc(Nc2cc(Nc3ccccc3Cl)c(C(N)=O)cn2)n1
InChIInChI=1S/C18H16ClN5O/c1-11-5-4-8-16(22-11)24-17-9-15(12(10-21-17)18(20)25)23-14-7-3-2-6-13(14)19/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)
InChIKeyOYWNKAAPXTYEBN-UHFFFAOYSA-N
XLogP4.02
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroanilino)-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide?
The IUPAC name of 4-(2-chloroanilino)-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide (CID 129165016) is 4-(2-chloroanilino)-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-(2-chloroanilino)-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 4-(2-chloroanilino)-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide is Cc1cccc(Nc2cc(Nc3ccccc3Cl)c(C(N)=O)cn2)n1.
What is the InChIKey of 4-(2-chloroanilino)-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide?
The InChIKey is OYWNKAAPXTYEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O/c1-11-5-4-8-16(22-11)24-17-9-15(12(10-21-17)18(20)25)23-14-7-3-2-6-13(14)19/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24).
What are the key properties of 4-(2-chloroanilino)-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide?
4-(2-chloroanilino)-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 4.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroanilino)-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 129165016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).