N-[3-[(3,4-dipropoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide

C25H27N3O4 — CID 55630389

IUPACN-[3-[(3,4-dipropoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCCCOc1ccc(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1OCCC
InChIInChI=1S/C25H27N3O4/c1-3-13-31-22-11-10-21(16-23(22)32-14-4-2)28-24(29)18-7-5-9-20(15-18)27-25(30)19-8-6-12-26-17-19/h5-12,15-17H,3-4,13-14H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyBVDBLFPEFIAMLE-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.16
Rot. Bonds10

About N-[3-[(3,4-dipropoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide

N-[3-[(3,4-dipropoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 55630389) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[3-[(3,4-dipropoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3,4-dipropoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID55630389
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-[3-[(3,4-dipropoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
SMILESCCCOc1ccc(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1OCCC
InChIInChI=1S/C25H27N3O4/c1-3-13-31-22-11-10-21(16-23(22)32-14-4-2)28-24(29)18-7-5-9-20(15-18)27-25(30)19-8-6-12-26-17-19/h5-12,15-17H,3-4,13-14H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyBVDBLFPEFIAMLE-UHFFFAOYSA-N
XLogP5.16
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(3,4-dipropoxyphenyl)benzamide
CID 119679445
N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 7311959
N-[3-[(4-butoxybenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 46547921
N-(3-acetamidophenyl)-3-ethoxy-4-propoxybenzamide
CID 26103323
N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]-3-propoxybenzamide
CID 55778341
N-(3,4-dipropoxyphenyl)-3,5-dimethylbenzamide
CID 7924147
N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55631172
3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide
CID 38374458
4-(aminomethyl)-N-(3,4-dipropoxyphenyl)benzamide
CID 119265999
N-(3,4-dipropoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 24643722
3,4-diethoxy-N-[3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 60520684
N-[3-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 55630301

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3,4-dipropoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(3,4-dipropoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide (CID 55630389) is N-[3-[(3,4-dipropoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(3,4-dipropoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(3,4-dipropoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide is CCCOc1ccc(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1OCCC.
What is the InChIKey of N-[3-[(3,4-dipropoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is BVDBLFPEFIAMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-3-13-31-22-11-10-21(16-23(22)32-14-4-2)28-24(29)18-7-5-9-20(15-18)27-25(30)19-8-6-12-26-17-19/h5-12,15-17H,3-4,13-14H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of N-[3-[(3,4-dipropoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide?
N-[3-[(3,4-dipropoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 5.16, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3,4-dipropoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55630389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).