N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide

C20H18N4O2 — CID 163197723

IUPACN-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2ccncc2)c(C)cc1NC(=O)c1ccncc1
InChIInChI=1S/C20H18N4O2/c1-13-11-18(24-20(26)16-5-9-22-10-6-16)14(2)12-17(13)23-19(25)15-3-7-21-8-4-15/h3-12H,1-2H3,(H,23,25)(H,24,26)
InChIKeyDRJUZBOVBDMERL-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.60
Rot. Bonds4

About N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide

N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide (PubChem CID 163197723) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide
PubChem CID163197723
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2ccncc2)c(C)cc1NC(=O)c1ccncc1
InChIInChI=1S/C20H18N4O2/c1-13-11-18(24-20(26)16-5-9-22-10-6-16)14(2)12-17(13)23-19(25)15-3-7-21-8-4-15/h3-12H,1-2H3,(H,23,25)(H,24,26)
InChIKeyDRJUZBOVBDMERL-UHFFFAOYSA-N
XLogP3.60
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxy-4,5-dimethylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110776827
N-[2-methyl-4-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 58919756
methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
CID 737265
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 104723857
N-[2-hydroxy-3-methyl-5-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 70806875
N-(2,5-dimethoxy-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110777790
N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide
CID 46761053
5-methyl-2-(pyridine-4-carbonylamino)benzoic acid
CID 24701556
N-[5-[(3,5-dimethylfuran-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide
CID 122146668
N-(2,4,5-trichlorophenyl)pyridine-4-carboxamide
CID 4098506
N-(2,6-dimethylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756385
N-(2-tert-butylphenyl)pyridine-4-carboxamide
CID 2446338

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide (CID 163197723) is N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide is Cc1cc(NC(=O)c2ccncc2)c(C)cc1NC(=O)c1ccncc1.
What is the InChIKey of N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide?
The InChIKey is DRJUZBOVBDMERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-11-18(24-20(26)16-5-9-22-10-6-16)14(2)12-17(13)23-19(25)15-3-7-21-8-4-15/h3-12H,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide?
N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 163197723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).