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

C22H17N5O — CID 10021870

IUPACN-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1)c1cccnc1
InChIInChI=1S/C22H17N5O/c28-22(18-5-4-10-23-15-18)27-21-14-17(9-12-25-21)16-8-11-24-20(13-16)26-19-6-2-1-3-7-19/h1-15H,(H,24,26)(H,25,27,28)
InChIKeyQAJYGCFIHFNUML-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.53
Rot. Bonds5

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

N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 10021870) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]pyridine-3-carboxamide
PubChem CID10021870
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC NameN-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]pyridine-3-carboxamide
SMILESO=C(Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1)c1cccnc1
InChIInChI=1S/C22H17N5O/c28-22(18-5-4-10-23-15-18)27-21-14-17(9-12-25-21)16-8-11-24-20(13-16)26-19-6-2-1-3-7-19/h1-15H,(H,24,26)(H,25,27,28)
InChIKeyQAJYGCFIHFNUML-UHFFFAOYSA-N
XLogP4.53
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]pyridine-3-carboxamide (CID 10021870) is N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]pyridine-3-carboxamide is O=C(Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1)c1cccnc1.
What is the InChIKey of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is QAJYGCFIHFNUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c28-22(18-5-4-10-23-15-18)27-21-14-17(9-12-25-21)16-8-11-24-20(13-16)26-19-6-2-1-3-7-19/h1-15H,(H,24,26)(H,25,27,28).
What are the key properties of N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]pyridine-3-carboxamide?
N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-anilino-4-pyridinyl)-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 10021870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).