2-(dimethylamino)-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide

C14H21N3O3 — CID 103954232

IUPAC2-(dimethylamino)-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
SMILESCN(C)c1cc(C(=O)NC2(CO)CCOCC2)ccn1
InChIInChI=1S/C14H21N3O3/c1-17(2)12-9-11(3-6-15-12)13(19)16-14(10-18)4-7-20-8-5-14/h3,6,9,18H,4-5,7-8,10H2,1-2H3,(H,16,19)
InChIKeyOMEWRQHQUCGZGO-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.42
Rot. Bonds4

About 2-(dimethylamino)-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide

2-(dimethylamino)-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide (PubChem CID 103954232) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
PubChem CID103954232
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-(dimethylamino)-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
SMILESCN(C)c1cc(C(=O)NC2(CO)CCOCC2)ccn1
InChIInChI=1S/C14H21N3O3/c1-17(2)12-9-11(3-6-15-12)13(19)16-14(10-18)4-7-20-8-5-14/h3,6,9,18H,4-5,7-8,10H2,1-2H3,(H,16,19)
InChIKeyOMEWRQHQUCGZGO-UHFFFAOYSA-N
XLogP0.42
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
CID 113358039
4-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide
CID 104630550
N-[4-(hydroxymethyl)oxan-4-yl]naphthalene-2-carboxamide
CID 103954237
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide
CID 103954122
N-[4-(hydroxymethyl)oxan-4-yl]-1,3-benzothiazole-6-carboxamide
CID 104630575
N-[4-(hydroxymethyl)oxan-4-yl]-3H-benzimidazole-5-carboxamide
CID 106297402
2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]-3-hydroxypropanoic acid
CID 43171682
N-[4-(hydroxymethyl)oxan-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103954059
3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 104630413
N-[4-(hydroxymethyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 103954215
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]furan-3-carboxamide
CID 107091848
(2S)-2-[[2-(dimethylamino)pyridine-4-carbonyl]amino]pentanoic acid
CID 93252378

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide (CID 103954232) is 2-(dimethylamino)-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide is CN(C)c1cc(C(=O)NC2(CO)CCOCC2)ccn1.
What is the InChIKey of 2-(dimethylamino)-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide?
The InChIKey is OMEWRQHQUCGZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-17(2)12-9-11(3-6-15-12)13(19)16-14(10-18)4-7-20-8-5-14/h3,6,9,18H,4-5,7-8,10H2,1-2H3,(H,16,19).
What are the key properties of 2-(dimethylamino)-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide?
2-(dimethylamino)-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 103954232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).