N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide

C13H13N3O2 — CID 47142420

IUPACN-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
SMILESCOc1cc(CNC(=O)c2ccncc2)ccn1
InChIInChI=1S/C13H13N3O2/c1-18-12-8-10(2-7-15-12)9-16-13(17)11-3-5-14-6-4-11/h2-8H,9H2,1H3,(H,16,17)
InChIKeyJVROFZFRJUMXBF-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.42
Rot. Bonds4

About N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide

N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide (PubChem CID 47142420) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
PubChem CID47142420
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide
SMILESCOc1cc(CNC(=O)c2ccncc2)ccn1
InChIInChI=1S/C13H13N3O2/c1-18-12-8-10(2-7-15-12)9-16-13(17)11-3-5-14-6-4-11/h2-8H,9H2,1H3,(H,16,17)
InChIKeyJVROFZFRJUMXBF-UHFFFAOYSA-N
XLogP1.42
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[(2-methoxy-4-pyridinyl)methyl]-3-(pyridin-4-ylmethoxy)benzamide
CID 31816152
4-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62991671
N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]pyridine-4-carboxamide
CID 39503685
3-amino-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 62072661
N-[2-[(2-methoxy-4-pyridinyl)methylamino]-2-oxoethyl]benzamide
CID 25343533
6-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 62073001
4-amino-3,5-dichloro-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 82783281
N-[(2-methoxy-4-pyridinyl)methyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 47019691
4-(cyclopropanecarbonylamino)-N-[(2-methoxy-4-pyridinyl)methyl]benzamide
CID 18167280
N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18167334
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-2-carboxamide
CID 62991134
5-chloro-6-hydrazinyl-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 62989408

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide (CID 47142420) is N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide is COc1cc(CNC(=O)c2ccncc2)ccn1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide?
The InChIKey is JVROFZFRJUMXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-18-12-8-10(2-7-15-12)9-16-13(17)11-3-5-14-6-4-11/h2-8H,9H2,1H3,(H,16,17).
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide?
N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 47142420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).