2-[[2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide

C17H15N5O — CID 117077466

IUPAC2-[[2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide
SMILESNC(=O)c1ccccc1Nc1ccnc(Nc2cccnc2)c1
InChIInChI=1S/C17H15N5O/c18-17(23)14-5-1-2-6-15(14)21-12-7-9-20-16(10-12)22-13-4-3-8-19-11-13/h1-11H,(H2,18,23)(H2,20,21,22)
InChIKeyIWVVYPVRLNXLJD-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.06
Rot. Bonds5

About 2-[[2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide

2-[[2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide (PubChem CID 117077466) has the molecular formula C17H15N5O and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-[[2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide
PubChem CID117077466
Molecular FormulaC17H15N5O
Molecular Weight305.34 g/mol
Exact Mass305.13
IUPAC Name2-[[2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide
SMILESNC(=O)c1ccccc1Nc1ccnc(Nc2cccnc2)c1
InChIInChI=1S/C17H15N5O/c18-17(23)14-5-1-2-6-15(14)21-12-7-9-20-16(10-12)22-13-4-3-8-19-11-13/h1-11H,(H2,18,23)(H2,20,21,22)
InChIKeyIWVVYPVRLNXLJD-UHFFFAOYSA-N
XLogP3.06
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-methyl-2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide
CID 117076911
2-(4-carbamoylanilino)-N-pyridin-3-ylbenzamide
CID 163309934
2-[[2-(4-methylphenyl)-4-pyridinyl]amino]benzamide
CID 117077072
2-[[5-methyl-2-(pyridin-4-ylamino)-4-pyridinyl]amino]benzamide;2,2,2-trifluoroacetic acid
CID 117076912
2-(3-phenylanilino)benzamide
CID 44596232
4-(pyridin-3-ylamino)pyridine-2-carboxylic acid
CID 43143000
2-(naphthalen-2-ylamino)benzamide
CID 70089831
tert-butyl 4-[[4-(2-carbamoylanilino)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 117077336
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111
4-(3-methylanilino)pyridine-3-carboxamide
CID 69304920
2-(pyridin-3-ylamino)pyridine-4-carbonitrile
CID 24702433
4-(1H-indol-6-ylmethylamino)-6-(pyridin-3-ylamino)pyridine-3-carboxamide
CID 67500980

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide?
The IUPAC name of 2-[[2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide (CID 117077466) is 2-[[2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide?
The canonical SMILES for 2-[[2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide is NC(=O)c1ccccc1Nc1ccnc(Nc2cccnc2)c1.
What is the InChIKey of 2-[[2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide?
The InChIKey is IWVVYPVRLNXLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O/c18-17(23)14-5-1-2-6-15(14)21-12-7-9-20-16(10-12)22-13-4-3-8-19-11-13/h1-11H,(H2,18,23)(H2,20,21,22).
What are the key properties of 2-[[2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide?
2-[[2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide has a molecular weight of 305.34 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 117077466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).