4-[4-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-fluorophenyl]-6-methyl-2-pyridinyl]-N-methylpyridine-2-carboxamide

C29H25FN6O2 — CID 169024632

IUPAC4-[4-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-fluorophenyl]-6-methyl-2-pyridinyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2cc(-c3cc(NC(=O)c4ccnc(C(C)(C)C#N)c4)ccc3F)cc(C)n2)ccn1
InChIInChI=1S/C29H25FN6O2/c1-17-11-20(13-24(35-17)18-7-9-33-25(12-18)28(38)32-4)22-15-21(5-6-23(22)30)36-27(37)19-8-10-34-26(14-19)29(2,3)16-31/h5-15H,1-4H3,(H,32,38)(H,36,37)
InChIKeyOJUZBOJXIPXYLJ-UHFFFAOYSA-N
MW508.56 g/mol
LogP5.07
Rot. Bonds6

About 4-[4-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-fluorophenyl]-6-methyl-2-pyridinyl]-N-methylpyridine-2-carboxamide

4-[4-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-fluorophenyl]-6-methyl-2-pyridinyl]-N-methylpyridine-2-carboxamide (PubChem CID 169024632) has the molecular formula C29H25FN6O2 and a molecular weight of 508.56 g/mol. Its IUPAC name is 4-[4-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-fluorophenyl]-6-methyl-2-pyridinyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-fluorophenyl]-6-methyl-2-pyridinyl]-N-methylpyridine-2-carboxamide
PubChem CID169024632
Molecular FormulaC29H25FN6O2
Molecular Weight508.56 g/mol
Exact Mass508.20
IUPAC Name4-[4-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-fluorophenyl]-6-methyl-2-pyridinyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2cc(-c3cc(NC(=O)c4ccnc(C(C)(C)C#N)c4)ccc3F)cc(C)n2)ccn1
InChIInChI=1S/C29H25FN6O2/c1-17-11-20(13-24(35-17)18-7-9-33-25(12-18)28(38)32-4)22-15-21(5-6-23(22)30)36-27(37)19-8-10-34-26(14-19)29(2,3)16-31/h5-15H,1-4H3,(H,32,38)(H,36,37)
InChIKeyOJUZBOJXIPXYLJ-UHFFFAOYSA-N
XLogP5.07
TPSA120.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.56
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-methyl-4-pyridinyl]-4-fluorophenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168930438
N-[3-[2-(2-amino-4-pyridinyl)pyrimidin-4-yl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 168930339
2-(2-cyanopropan-2-yl)-N-[3-[2-[2-(2,2-dimethylpropanoylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 168930406
N-[3-(2-chloropyrimidin-4-yl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 169024706
N-[5-[2-(2-acetamido-4-pyridinyl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 169024588
4-[(1Z,3E)-3-[2-cyano-5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]phenyl]-1-(methylideneamino)penta-1,3-dienyl]-N-methylpyridine-2-carboxamide
CID 170106551
N-[5-[2-[2-[(2-cyano-2-methylpropanoyl)amino]-4-pyridinyl]-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 168929322
2-(2-cyanopropan-2-yl)-N-[3-[2-[2-[(2-methoxy-2-methylpropanoyl)amino]-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 168930730
N-[3-[2-(2-hydroxypropan-2-yl)-6-(2-methyl-4-pyridinyl)-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168930288
4-[6-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methyl-3-pyridinyl]pyridazin-4-yl]-N-methylpyridine-2-carboxamide
CID 170100895
2-(2-cyanopropan-2-yl)-N-[3-(5-cyano-6-propan-2-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide
CID 130404962
N-[3-[5-cyano-6-(cyclopropylamino)-3-pyridinyl]-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 130405188

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-fluorophenyl]-6-methyl-2-pyridinyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-fluorophenyl]-6-methyl-2-pyridinyl]-N-methylpyridine-2-carboxamide (CID 169024632) is 4-[4-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-fluorophenyl]-6-methyl-2-pyridinyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-fluorophenyl]-6-methyl-2-pyridinyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-fluorophenyl]-6-methyl-2-pyridinyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(-c2cc(-c3cc(NC(=O)c4ccnc(C(C)(C)C#N)c4)ccc3F)cc(C)n2)ccn1.
What is the InChIKey of 4-[4-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-fluorophenyl]-6-methyl-2-pyridinyl]-N-methylpyridine-2-carboxamide?
The InChIKey is OJUZBOJXIPXYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN6O2/c1-17-11-20(13-24(35-17)18-7-9-33-25(12-18)28(38)32-4)22-15-21(5-6-23(22)30)36-27(37)19-8-10-34-26(14-19)29(2,3)16-31/h5-15H,1-4H3,(H,32,38)(H,36,37).
What are the key properties of 4-[4-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-fluorophenyl]-6-methyl-2-pyridinyl]-N-methylpyridine-2-carboxamide?
4-[4-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-fluorophenyl]-6-methyl-2-pyridinyl]-N-methylpyridine-2-carboxamide has a molecular weight of 508.56 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-fluorophenyl]-6-methyl-2-pyridinyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 169024632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).