N-[4-(pyridin-2-ylmethylamino)phenyl]oxane-4-carboxamide

C18H21N3O2 — CID 112982951

IUPACN-[4-(pyridin-2-ylmethylamino)phenyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(NCc2ccccn2)cc1)C1CCOCC1
InChIInChI=1S/C18H21N3O2/c22-18(14-8-11-23-12-9-14)21-16-6-4-15(5-7-16)20-13-17-3-1-2-10-19-17/h1-7,10,14,20H,8-9,11-13H2,(H,21,22)
InChIKeyKRILSHKQGSVGDO-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.06
Rot. Bonds5

About N-[4-(pyridin-2-ylmethylamino)phenyl]oxane-4-carboxamide

N-[4-(pyridin-2-ylmethylamino)phenyl]oxane-4-carboxamide (PubChem CID 112982951) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-[4-(pyridin-2-ylmethylamino)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-(pyridin-2-ylmethylamino)phenyl]oxane-4-carboxamide
PubChem CID112982951
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-[4-(pyridin-2-ylmethylamino)phenyl]oxane-4-carboxamide
SMILESO=C(Nc1ccc(NCc2ccccn2)cc1)C1CCOCC1
InChIInChI=1S/C18H21N3O2/c22-18(14-8-11-23-12-9-14)21-16-6-4-15(5-7-16)20-13-17-3-1-2-10-19-17/h1-7,10,14,20H,8-9,11-13H2,(H,21,22)
InChIKeyKRILSHKQGSVGDO-UHFFFAOYSA-N
XLogP3.06
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(cyclopropanecarbonylamino)phenyl]oxane-4-carboxamide
CID 30179617
N-(2-pyridin-2-ylethyl)oxane-4-carboxamide
CID 51073128
methyl N-[4-(pyridin-2-ylmethylamino)phenyl]carbamate
CID 43730278
N-(4-pyridin-2-ylbutyl)oxane-4-carboxamide
CID 118773857
N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]oxane-4-carboxamide
CID 112983418
N-(6-amino-3-pyridinyl)oxane-4-carboxamide;hydrochloride
CID 119514919
2-phenoxy-N-[4-(pyridin-2-ylmethylamino)phenyl]acetamide
CID 112982924
N-[4-(pyridin-4-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 28660347
2-[4-(oxane-4-carbonylamino)phenoxy]acetic acid
CID 62033736
N-pyrazolo[1,5-a]pyridin-6-yloxane-4-carboxamide
CID 167950739
N-[3-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide
CID 51337572
N-[4-(diethylamino)phenyl]oxane-4-carboxamide
CID 51188941

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-2-ylmethylamino)phenyl]oxane-4-carboxamide?
The IUPAC name of N-[4-(pyridin-2-ylmethylamino)phenyl]oxane-4-carboxamide (CID 112982951) is N-[4-(pyridin-2-ylmethylamino)phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-[4-(pyridin-2-ylmethylamino)phenyl]oxane-4-carboxamide?
The canonical SMILES for N-[4-(pyridin-2-ylmethylamino)phenyl]oxane-4-carboxamide is O=C(Nc1ccc(NCc2ccccn2)cc1)C1CCOCC1.
What is the InChIKey of N-[4-(pyridin-2-ylmethylamino)phenyl]oxane-4-carboxamide?
The InChIKey is KRILSHKQGSVGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c22-18(14-8-11-23-12-9-14)21-16-6-4-15(5-7-16)20-13-17-3-1-2-10-19-17/h1-7,10,14,20H,8-9,11-13H2,(H,21,22).
What are the key properties of N-[4-(pyridin-2-ylmethylamino)phenyl]oxane-4-carboxamide?
N-[4-(pyridin-2-ylmethylamino)phenyl]oxane-4-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-2-ylmethylamino)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 112982951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).