N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide

C22H21N3O3 — CID 108926458

IUPACN-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
SMILESCOc1cccc(CC(=O)NCc2cccc(NC(=O)c3cccnc3)c2)c1
InChIInChI=1S/C22H21N3O3/c1-28-20-9-3-5-16(12-20)13-21(26)24-14-17-6-2-8-19(11-17)25-22(27)18-7-4-10-23-15-18/h2-12,15H,13-14H2,1H3,(H,24,26)(H,25,27)
InChIKeyKDCACIZOWDZXHO-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.20
Rot. Bonds7

About N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide

N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide (PubChem CID 108926458) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
PubChem CID108926458
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
SMILESCOc1cccc(CC(=O)NCc2cccc(NC(=O)c3cccnc3)c2)c1
InChIInChI=1S/C22H21N3O3/c1-28-20-9-3-5-16(12-20)13-21(26)24-14-17-6-2-8-19(11-17)25-22(27)18-7-4-10-23-15-18/h2-12,15H,13-14H2,1H3,(H,24,26)(H,25,27)
InChIKeyKDCACIZOWDZXHO-UHFFFAOYSA-N
XLogP3.20
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926397
3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide
CID 55894310
[3-[[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]carbamoyl]phenyl] acetate
CID 108929211
N-[2-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925379
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
N-[3-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926355
N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 32638262
N-[[3-[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]phenyl]methyl]pyridine-3-carboxamide
CID 108926513
N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide (CID 108926458) is N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide is COc1cccc(CC(=O)NCc2cccc(NC(=O)c3cccnc3)c2)c1.
What is the InChIKey of N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is KDCACIZOWDZXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-28-20-9-3-5-16(12-20)13-21(26)24-14-17-6-2-8-19(11-17)25-22(27)18-7-4-10-23-15-18/h2-12,15H,13-14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide?
N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).