4-chloro-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide

C19H16ClN3O2 — CID 86990543

IUPAC4-chloro-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(OCc2cccnc2)cc1)c1cc(Cl)ccn1
InChIInChI=1S/C19H16ClN3O2/c20-16-7-9-22-18(10-16)19(24)23-12-14-3-5-17(6-4-14)25-13-15-2-1-8-21-11-15/h1-11H,12-13H2,(H,23,24)
InChIKeyQMQOKMCAHCMBTK-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.64
Rot. Bonds6

About 4-chloro-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide

4-chloro-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 86990543) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 4-chloro-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide
PubChem CID86990543
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name4-chloro-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(OCc2cccnc2)cc1)c1cc(Cl)ccn1
InChIInChI=1S/C19H16ClN3O2/c20-16-7-9-22-18(10-16)19(24)23-12-14-3-5-17(6-4-14)25-13-15-2-1-8-21-11-15/h1-11H,12-13H2,(H,23,24)
InChIKeyQMQOKMCAHCMBTK-UHFFFAOYSA-N
XLogP3.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 25345003
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
4-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 43088257
4-chloro-N-[(3-chlorophenyl)methyl]pyridine-2-carboxamide
CID 9401789
4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
3,4,5-trimethoxy-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 55708070
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
5-(methoxymethyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 78876213
N-[(4-fluoro-3-methylphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 39697713
N-[(3,5-dimethoxyphenyl)methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 46590121
2-N-[2-(4-chlorophenyl)ethyl]-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087317
N-[[3-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide
CID 38934279

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide (CID 86990543) is 4-chloro-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide is O=C(NCc1ccc(OCc2cccnc2)cc1)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide?
The InChIKey is QMQOKMCAHCMBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-16-7-9-22-18(10-16)19(24)23-12-14-3-5-17(6-4-14)25-13-15-2-1-8-21-11-15/h1-11H,12-13H2,(H,23,24).
What are the key properties of 4-chloro-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide?
4-chloro-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 86990543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).