N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide

C17H19N3O3 — CID 108926397

IUPACN-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
SMILESCOCCC(=O)NCc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C17H19N3O3/c1-23-9-7-16(21)19-11-13-4-2-6-15(10-13)20-17(22)14-5-3-8-18-12-14/h2-6,8,10,12H,7,9,11H2,1H3,(H,19,21)(H,20,22)
InChIKeySGLUAYLZARZQPD-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.99
Rot. Bonds7

About N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide

N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 108926397) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
PubChem CID108926397
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
SMILESCOCCC(=O)NCc1cccc(NC(=O)c2cccnc2)c1
InChIInChI=1S/C17H19N3O3/c1-23-9-7-16(21)19-11-13-4-2-6-15(10-13)20-17(22)14-5-3-8-18-12-14/h2-6,8,10,12H,7,9,11H2,1H3,(H,19,21)(H,20,22)
InChIKeySGLUAYLZARZQPD-UHFFFAOYSA-N
XLogP1.99
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926458
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 32638262
N-[3-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926492
N-[3-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926411
3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 110839174
N-[[3-(propanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926394
N-[3-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926353
N-[[3-[4-(2,6-dimethylphenoxy)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108926336
N-[3-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926355
N-[3-[[(2-cyclopentylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926494
N-[3-[[4-(1,3-dioxoisoindol-2-yl)butanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926385

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide (CID 108926397) is N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide is COCCC(=O)NCc1cccc(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is SGLUAYLZARZQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-23-9-7-16(21)19-11-13-4-2-6-15(10-13)20-17(22)14-5-3-8-18-12-14/h2-6,8,10,12H,7,9,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide?
N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).