N-methyl-6-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C16H19N3O2 — CID 78872697

IUPACN-methyl-6-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)N(C)Cc2cccnc2)cn1
InChIInChI=1S/C16H19N3O2/c1-12(2)21-15-7-6-14(10-18-15)16(20)19(3)11-13-5-4-8-17-9-13/h4-10,12H,11H2,1-3H3
InChIKeySPEQUBHCSRJNKX-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.54
Rot. Bonds5

About N-methyl-6-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

N-methyl-6-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 78872697) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-methyl-6-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID78872697
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-methyl-6-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCC(C)Oc1ccc(C(=O)N(C)Cc2cccnc2)cn1
InChIInChI=1S/C16H19N3O2/c1-12(2)21-15-7-6-14(10-18-15)16(20)19(3)11-13-5-4-8-17-9-13/h4-10,12H,11H2,1-3H3
InChIKeySPEQUBHCSRJNKX-UHFFFAOYSA-N
XLogP2.54
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-phenoxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 87002105
N-[(3-fluorophenyl)methyl]-N-methyl-6-propan-2-yloxypyridine-3-carboxamide
CID 86985471
3-methoxy-N-methyl-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 86932709
6-bromo-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 66463472
4-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86977207
4-tert-butyl-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86932717
4-cyano-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 43397555
3,5-dihydroxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103891587
3,5-dimethoxy-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 6734292
2-[2-phenylethyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]acetic acid
CID 120540542
2-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 115116120
3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103734687

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-methyl-6-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 78872697) is N-methyl-6-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-6-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-6-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is CC(C)Oc1ccc(C(=O)N(C)Cc2cccnc2)cn1.
What is the InChIKey of N-methyl-6-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is SPEQUBHCSRJNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12(2)21-15-7-6-14(10-18-15)16(20)19(3)11-13-5-4-8-17-9-13/h4-10,12H,11H2,1-3H3.
What are the key properties of N-methyl-6-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
N-methyl-6-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-propan-2-yloxy-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 78872697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).