5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-[6-(methylamino)-3-pyridinyl]benzamide

C25H25N5O2 — CID 44571965

IUPAC5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-[6-(methylamino)-3-pyridinyl]benzamide
SMILESCNc1ccc(NC(=O)c2cc(NC(=O)c3cccc(C(C)(C)C#N)c3)ccc2C)cn1
InChIInChI=1S/C25H25N5O2/c1-16-8-9-19(13-21(16)24(32)30-20-10-11-22(27-4)28-14-20)29-23(31)17-6-5-7-18(12-17)25(2,3)15-26/h5-14H,1-4H3,(H,27,28)(H,29,31)(H,30,32)
InChIKeyLXDVOYNFTASCAC-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.74
Rot. Bonds6

About 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-[6-(methylamino)-3-pyridinyl]benzamide

5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-[6-(methylamino)-3-pyridinyl]benzamide (PubChem CID 44571965) has the molecular formula C25H25N5O2 and a molecular weight of 427.51 g/mol. Its IUPAC name is 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-[6-(methylamino)-3-pyridinyl]benzamide.

Molecular Properties

Compound Name5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-[6-(methylamino)-3-pyridinyl]benzamide
PubChem CID44571965
Molecular FormulaC25H25N5O2
Molecular Weight427.51 g/mol
Exact Mass427.20
IUPAC Name5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-[6-(methylamino)-3-pyridinyl]benzamide
SMILESCNc1ccc(NC(=O)c2cc(NC(=O)c3cccc(C(C)(C)C#N)c3)ccc2C)cn1
InChIInChI=1S/C25H25N5O2/c1-16-8-9-19(13-21(16)24(32)30-20-10-11-22(27-4)28-14-20)29-23(31)17-6-5-7-18(12-17)25(2,3)15-26/h5-14H,1-4H3,(H,27,28)(H,29,31)(H,30,32)
InChIKeyLXDVOYNFTASCAC-UHFFFAOYSA-N
XLogP4.74
TPSA106.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-(1-Cyanocyclopentyl)phenyl)-2-((4-pyridinylmethyl)amino)-3-pyridinecarboxamide
CID 11315474
3-(2-(6-aminopyridin-3-yl)ethynyl)-4-methyl-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16109023
N'-(6-aminopyridin-3-yl)-N-(2-cyclopentylethyl)-4-methyl-benzene-1,3-dicarboxamide
CID 24812718
N-(2-amino-5-pyrimidinyl)-2-methyl-5-(((3-(trifluoromethyl)phenyl)carbonyl)amino)benzamide
CID 15950748
5-acetamido-2-methyl-N-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)benzamide
CID 16116849
Aminopyrimidine amide urea, 23a
CID 16118603
Aminopyrimidine amide, 13d
CID 16118739
Unsubstituted pyrimidine amide, 37
CID 24824046
(S)-N-(3-(1-(6-chloropyrazin-2-ylamino)ethyl)phenyl)-3-methylbenzamide
CID 25218459
Blk-IN-1
CID 71519693
2-(Cyclobutylamino)-N-(4'-{[(cyclopropylmethyl)amino]carbonyl}-6-methyl-1,1'-biphenyl-3-yl)isonicotinamide
CID 44578748
3-[4-[[4-(4-Cyano-2,6-dimethyl-anilino)pyrimidin-2-yl]amino]-1-piperidyl]benzamide
CID 52943897

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-[6-(methylamino)-3-pyridinyl]benzamide?
The IUPAC name of 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-[6-(methylamino)-3-pyridinyl]benzamide (CID 44571965) is 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-[6-(methylamino)-3-pyridinyl]benzamide.
What is the SMILES notation for 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-[6-(methylamino)-3-pyridinyl]benzamide?
The canonical SMILES for 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-[6-(methylamino)-3-pyridinyl]benzamide is CNc1ccc(NC(=O)c2cc(NC(=O)c3cccc(C(C)(C)C#N)c3)ccc2C)cn1.
What is the InChIKey of 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-[6-(methylamino)-3-pyridinyl]benzamide?
The InChIKey is LXDVOYNFTASCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O2/c1-16-8-9-19(13-21(16)24(32)30-20-10-11-22(27-4)28-14-20)29-23(31)17-6-5-7-18(12-17)25(2,3)15-26/h5-14H,1-4H3,(H,27,28)(H,29,31)(H,30,32).
What are the key properties of 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-[6-(methylamino)-3-pyridinyl]benzamide?
5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-[6-(methylamino)-3-pyridinyl]benzamide has a molecular weight of 427.51 g/mol, XLogP of 4.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methyl-N-[6-(methylamino)-3-pyridinyl]benzamide is sourced from PubChem (CID 44571965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).