2-[[5-methyl-2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide

C18H17N5O — CID 117076911

IUPAC2-[[5-methyl-2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide
SMILESCc1cnc(Nc2cccnc2)cc1Nc1ccccc1C(N)=O
InChIInChI=1S/C18H17N5O/c1-12-10-21-17(22-13-5-4-8-20-11-13)9-16(12)23-15-7-3-2-6-14(15)18(19)24/h2-11H,1H3,(H2,19,24)(H2,21,22,23)
InChIKeyNVDUXGWJUFKRPP-UHFFFAOYSA-N
MW319.37 g/mol
LogP3.37
Rot. Bonds5

About 2-[[5-methyl-2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide

2-[[5-methyl-2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide (PubChem CID 117076911) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-[[5-methyl-2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide.

Molecular Properties

Compound Name2-[[5-methyl-2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide
PubChem CID117076911
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name2-[[5-methyl-2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide
SMILESCc1cnc(Nc2cccnc2)cc1Nc1ccccc1C(N)=O
InChIInChI=1S/C18H17N5O/c1-12-10-21-17(22-13-5-4-8-20-11-13)9-16(12)23-15-7-3-2-6-14(15)18(19)24/h2-11H,1H3,(H2,19,24)(H2,21,22,23)
InChIKeyNVDUXGWJUFKRPP-UHFFFAOYSA-N
XLogP3.37
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-methyl-2-(pyridin-4-ylamino)-4-pyridinyl]amino]benzamide;2,2,2-trifluoroacetic acid
CID 117076912
2-[[2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide
CID 117077466
2-(4-carbamoylanilino)-N-pyridin-3-ylbenzamide
CID 163309934
5-fluoro-4-methyl-N-pyridin-3-ylpyridin-2-amine
CID 141185393
4-(1H-indol-6-ylmethylamino)-6-(pyridin-3-ylamino)pyridine-3-carboxamide
CID 67500980
2-[[6-[(6-methylpyrazin-2-yl)amino]pyrimidin-4-yl]amino]benzamide
CID 172624241
ethane;N-(2-methylphenyl)pyridin-3-amine
CID 143449341
4-methyl-3-(pyridin-3-ylamino)benzoic acid
CID 82536002
4-N-(2-aminophenyl)-5-methyl-2-N-pyridin-2-ylpyridine-2,4-diamine
CID 167009507
4-(3-methylanilino)pyridine-3-carboxamide
CID 69304920
2-N-pyridin-3-ylpyridine-2,5-diamine
CID 4764177
2-[[2-(4-methylphenyl)-4-pyridinyl]amino]benzamide
CID 117077072

Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide?
The IUPAC name of 2-[[5-methyl-2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide (CID 117076911) is 2-[[5-methyl-2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide.
What is the SMILES notation for 2-[[5-methyl-2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide?
The canonical SMILES for 2-[[5-methyl-2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide is Cc1cnc(Nc2cccnc2)cc1Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[[5-methyl-2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide?
The InChIKey is NVDUXGWJUFKRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-12-10-21-17(22-13-5-4-8-20-11-13)9-16(12)23-15-7-3-2-6-14(15)18(19)24/h2-11H,1H3,(H2,19,24)(H2,21,22,23).
What are the key properties of 2-[[5-methyl-2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide?
2-[[5-methyl-2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide has a molecular weight of 319.37 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-2-(pyridin-3-ylamino)-4-pyridinyl]amino]benzamide is sourced from PubChem (CID 117076911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).