N-methyl-N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-4-carboxamide

C16H25N3O2 — CID 63707435

IUPACN-methyl-N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)N(C)CC2CCOCC2)ccn1
InChIInChI=1S/C16H25N3O2/c1-3-7-17-15-11-14(4-8-18-15)16(20)19(2)12-13-5-9-21-10-6-13/h4,8,11,13H,3,5-7,9-10,12H2,1-2H3,(H,17,18)
InChIKeyAXZGKZREJPTCTK-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.40
Rot. Bonds6

About N-methyl-N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-4-carboxamide

N-methyl-N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-4-carboxamide (PubChem CID 63707435) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-4-carboxamide
PubChem CID63707435
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)N(C)CC2CCOCC2)ccn1
InChIInChI=1S/C16H25N3O2/c1-3-7-17-15-11-14(4-8-18-15)16(20)19(2)12-13-5-9-21-10-6-13/h4,8,11,13H,3,5-7,9-10,12H2,1-2H3,(H,17,18)
InChIKeyAXZGKZREJPTCTK-UHFFFAOYSA-N
XLogP2.40
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydrazinyl-N-methyl-N-(oxan-4-ylmethyl)pyridine-4-carboxamide
CID 55228397
N-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyridine-4-carboxamide
CID 62244049
N-methyl-N-(2-methylsulfonylethyl)-2-(propylamino)pyridine-4-carboxamide
CID 79864167
N-methyl-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide
CID 55042463
2-(ethylamino)-N-(oxan-4-yl)pyridine-4-carboxamide
CID 62170267
N-[2-[cyclopropyl(methyl)amino]ethyl]-2-(propylamino)pyridine-4-carboxamide
CID 62979979
N-(oxan-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 63362128
N-(2-hydroxy-3-methoxypropyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62176231
N-[(1-methylpyrrolidin-3-yl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 62179148
N-cyclopropyl-N-(2-methoxyethyl)-2-(propylamino)pyridine-4-carboxamide
CID 62175465
N-(4-fluorophenyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 62175245
N-[(3-methylcyclopentyl)methyl]-2-(propylamino)pyridine-4-carboxamide
CID 107415245

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-4-carboxamide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-4-carboxamide (CID 63707435) is N-methyl-N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-4-carboxamide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-4-carboxamide is CCCNc1cc(C(=O)N(C)CC2CCOCC2)ccn1.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-4-carboxamide?
The InChIKey is AXZGKZREJPTCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-7-17-15-11-14(4-8-18-15)16(20)19(2)12-13-5-9-21-10-6-13/h4,8,11,13H,3,5-7,9-10,12H2,1-2H3,(H,17,18).
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-4-carboxamide?
N-methyl-N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-4-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)-2-(propylamino)pyridine-4-carboxamide is sourced from PubChem (CID 63707435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).