N-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide

C17H19N3O3 — CID 108926036

IUPACN-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
SMILESCOCCC(=O)NCc1ccccc1NC(=O)c1cccnc1
InChIInChI=1S/C17H19N3O3/c1-23-10-8-16(21)19-12-13-5-2-3-7-15(13)20-17(22)14-6-4-9-18-11-14/h2-7,9,11H,8,10,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyNRAUVAVQRRGIKD-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.99
Rot. Bonds7

About N-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide

N-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 108926036) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
PubChem CID108926036
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
SMILESCOCCC(=O)NCc1ccccc1NC(=O)c1cccnc1
InChIInChI=1S/C17H19N3O3/c1-23-10-8-16(21)19-12-13-5-2-3-7-15(13)20-17(22)14-6-4-9-18-11-14/h2-7,9,11H,8,10,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyNRAUVAVQRRGIKD-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-[2-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926070
N-[2-(3-methoxypropanoylamino)phenyl]pyridine-3-carboxamide
CID 108925343
N-[2-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925922
N-[2-[[3-(3,4-dimethoxyphenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926042
N-[2-(benzamidomethyl)phenyl]pyridine-3-carboxamide
CID 108926022
N-[2-[[3-(4-bromophenyl)propanoylamino]methyl]phenyl]pyridine-3-carboxamide
CID 108926146
N-[2-[[[2-(3-methylphenyl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926106
N-[2-[(pyridine-4-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926052
N-[[2-(pyridine-4-carbonylamino)phenyl]methyl]pyridine-3-carboxamide
CID 108926051
N-[[2-[(3,4-dimethoxybenzoyl)amino]phenyl]methyl]pyridine-3-carboxamide
CID 108925835
N-[3-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926397
N-[2-[[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925920

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide (CID 108926036) is N-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide is COCCC(=O)NCc1ccccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is NRAUVAVQRRGIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-23-10-8-16(21)19-12-13-5-2-3-7-15(13)20-17(22)14-6-4-9-18-11-14/h2-7,9,11H,8,10,12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide?
N-[2-[(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-[2-[(3-methoxypropanoylamino)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).