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

C20H20N4O2 — CID 71996721

IUPACN-methyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]pyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1NCc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C20H20N4O2/c1-21-20(25)18-6-4-12-23-19(18)24-13-15-7-9-17(10-8-15)26-14-16-5-2-3-11-22-16/h2-12H,13-14H2,1H3,(H,21,25)(H,23,24)
InChIKeyWSORCECUVILQOK-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.03
Rot. Bonds7

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

N-methyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]pyridine-3-carboxamide (PubChem CID 71996721) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-methyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]pyridine-3-carboxamide
PubChem CID71996721
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-methyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]pyridine-3-carboxamide
SMILESCNC(=O)c1cccnc1NCc1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C20H20N4O2/c1-21-20(25)18-6-4-12-23-19(18)24-13-15-7-9-17(10-8-15)26-14-16-5-2-3-11-22-16/h2-12H,13-14H2,1H3,(H,21,25)(H,23,24)
InChIKeyWSORCECUVILQOK-UHFFFAOYSA-N
XLogP3.03
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-chloro-3-pyridinyl)methylamino]-N-methylpyridine-3-carboxamide
CID 133319280
2-[(2,4-dimethoxyphenyl)methylamino]-N-methylpyridine-3-carboxamide
CID 133319491
2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 28527658
N-methyl-2-[(6-propoxy-3-pyridinyl)methylamino]pyridine-3-carboxamide
CID 133320849
1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 87047264
methyl 2-[4-(pyridin-2-ylmethoxy)phenyl]acetate
CID 23549386
3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534147
5-bromo-2-chloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534175
N,2-dimethyl-3-[[(E)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoyl]amino]benzamide
CID 55677426
1-methyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87041161
2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
CID 18958983
N-(2-chloro-3-pyridinyl)-2-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 3320057

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]pyridine-3-carboxamide?
The IUPAC name of N-methyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]pyridine-3-carboxamide (CID 71996721) is N-methyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]pyridine-3-carboxamide is CNC(=O)c1cccnc1NCc1ccc(OCc2ccccn2)cc1.
What is the InChIKey of N-methyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]pyridine-3-carboxamide?
The InChIKey is WSORCECUVILQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-21-20(25)18-6-4-12-23-19(18)24-13-15-7-9-17(10-8-15)26-14-16-5-2-3-11-22-16/h2-12H,13-14H2,1H3,(H,21,25)(H,23,24).
What are the key properties of N-methyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]pyridine-3-carboxamide?
N-methyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]pyridine-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 71996721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).