N-[3-[1-[4-(dimethylamino)phenyl]propan-2-ylcarbamoyl]phenyl]pyridine-3-carboxamide

C24H26N4O2 — CID 47088997

IUPACN-[3-[1-[4-(dimethylamino)phenyl]propan-2-ylcarbamoyl]phenyl]pyridine-3-carboxamide
SMILESCC(Cc1ccc(N(C)C)cc1)NC(=O)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C24H26N4O2/c1-17(14-18-9-11-22(12-10-18)28(2)3)26-23(29)19-6-4-8-21(15-19)27-24(30)20-7-5-13-25-16-20/h4-13,15-17H,14H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyISRLGIDFDFFXST-UHFFFAOYSA-N
MW402.50 g/mol
LogP3.76
Rot. Bonds7

About N-[3-[1-[4-(dimethylamino)phenyl]propan-2-ylcarbamoyl]phenyl]pyridine-3-carboxamide

N-[3-[1-[4-(dimethylamino)phenyl]propan-2-ylcarbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 47088997) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-[3-[1-[4-(dimethylamino)phenyl]propan-2-ylcarbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-[4-(dimethylamino)phenyl]propan-2-ylcarbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID47088997
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC NameN-[3-[1-[4-(dimethylamino)phenyl]propan-2-ylcarbamoyl]phenyl]pyridine-3-carboxamide
SMILESCC(Cc1ccc(N(C)C)cc1)NC(=O)c1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C24H26N4O2/c1-17(14-18-9-11-22(12-10-18)28(2)3)26-23(29)19-6-4-8-21(15-19)27-24(30)20-7-5-13-25-16-20/h4-13,15-17H,14H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyISRLGIDFDFFXST-UHFFFAOYSA-N
XLogP3.76
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-1-(4-bromophenyl)propan-2-yl]pyridine-3-carboxamide
CID 51948817
3-(dimethylamino)-N-pyridin-3-ylbenzamide
CID 23793187
N-[3-[benzyl(methyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 26162903
N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide
CID 16782541
N-[3-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 86833573
N-[3-[1-(5-methylfuran-2-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 46411199
N-[3-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 51940025
N-[3-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 51939972
3-N-(3-acetylphenyl)-5-N-butan-2-ylpyridine-3,5-dicarboxamide
CID 109102422
N-[3-[[(2R)-2-amino-3-phenylpropanoyl]amino]phenyl]pyridine-3-carboxamide
CID 131941265
N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 17197451
N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 32638262

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[4-(dimethylamino)phenyl]propan-2-ylcarbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[1-[4-(dimethylamino)phenyl]propan-2-ylcarbamoyl]phenyl]pyridine-3-carboxamide (CID 47088997) is N-[3-[1-[4-(dimethylamino)phenyl]propan-2-ylcarbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[1-[4-(dimethylamino)phenyl]propan-2-ylcarbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[1-[4-(dimethylamino)phenyl]propan-2-ylcarbamoyl]phenyl]pyridine-3-carboxamide is CC(Cc1ccc(N(C)C)cc1)NC(=O)c1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[1-[4-(dimethylamino)phenyl]propan-2-ylcarbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is ISRLGIDFDFFXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-17(14-18-9-11-22(12-10-18)28(2)3)26-23(29)19-6-4-8-21(15-19)27-24(30)20-7-5-13-25-16-20/h4-13,15-17H,14H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of N-[3-[1-[4-(dimethylamino)phenyl]propan-2-ylcarbamoyl]phenyl]pyridine-3-carboxamide?
N-[3-[1-[4-(dimethylamino)phenyl]propan-2-ylcarbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[4-(dimethylamino)phenyl]propan-2-ylcarbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 47088997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).