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

C18H16ClN5O2 — CID 171343004

IUPAC4-(2-chloroanilino)-6-[(6-methoxy-2-pyridinyl)amino]pyridine-3-carboxamide
SMILESCOc1cccc(Nc2cc(Nc3ccccc3Cl)c(C(N)=O)cn2)n1
InChIInChI=1S/C18H16ClN5O2/c1-26-17-8-4-7-15(24-17)23-16-9-14(11(10-21-16)18(20)25)22-13-6-3-2-5-12(13)19/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)
InChIKeyQWJHDFPZYMYNPX-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.72
Rot. Bonds6

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

4-(2-chloroanilino)-6-[(6-methoxy-2-pyridinyl)amino]pyridine-3-carboxamide (PubChem CID 171343004) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is 4-(2-chloroanilino)-6-[(6-methoxy-2-pyridinyl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(2-chloroanilino)-6-[(6-methoxy-2-pyridinyl)amino]pyridine-3-carboxamide
PubChem CID171343004
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC Name4-(2-chloroanilino)-6-[(6-methoxy-2-pyridinyl)amino]pyridine-3-carboxamide
SMILESCOc1cccc(Nc2cc(Nc3ccccc3Cl)c(C(N)=O)cn2)n1
InChIInChI=1S/C18H16ClN5O2/c1-26-17-8-4-7-15(24-17)23-16-9-14(11(10-21-16)18(20)25)22-13-6-3-2-5-12(13)19/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24)
InChIKeyQWJHDFPZYMYNPX-UHFFFAOYSA-N
XLogP3.72
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroanilino)-6-[(6-methoxy-2-pyridinyl)amino]pyridine-3-carboxamide?
The IUPAC name of 4-(2-chloroanilino)-6-[(6-methoxy-2-pyridinyl)amino]pyridine-3-carboxamide (CID 171343004) is 4-(2-chloroanilino)-6-[(6-methoxy-2-pyridinyl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-(2-chloroanilino)-6-[(6-methoxy-2-pyridinyl)amino]pyridine-3-carboxamide?
The canonical SMILES for 4-(2-chloroanilino)-6-[(6-methoxy-2-pyridinyl)amino]pyridine-3-carboxamide is COc1cccc(Nc2cc(Nc3ccccc3Cl)c(C(N)=O)cn2)n1.
What is the InChIKey of 4-(2-chloroanilino)-6-[(6-methoxy-2-pyridinyl)amino]pyridine-3-carboxamide?
The InChIKey is QWJHDFPZYMYNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c1-26-17-8-4-7-15(24-17)23-16-9-14(11(10-21-16)18(20)25)22-13-6-3-2-5-12(13)19/h2-10H,1H3,(H2,20,25)(H2,21,22,23,24).
What are the key properties of 4-(2-chloroanilino)-6-[(6-methoxy-2-pyridinyl)amino]pyridine-3-carboxamide?
4-(2-chloroanilino)-6-[(6-methoxy-2-pyridinyl)amino]pyridine-3-carboxamide has a molecular weight of 369.81 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroanilino)-6-[(6-methoxy-2-pyridinyl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 171343004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).