4-(aminomethyl)-N-(2-phenyl-4-pyridinyl)oxane-4-carboxamide

C18H21N3O2 — CID 120941121

IUPAC4-(aminomethyl)-N-(2-phenyl-4-pyridinyl)oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2ccnc(-c3ccccc3)c2)CCOCC1
InChIInChI=1S/C18H21N3O2/c19-13-18(7-10-23-11-8-18)17(22)21-15-6-9-20-16(12-15)14-4-2-1-3-5-14/h1-6,9,12H,7-8,10-11,13,19H2,(H,20,21,22)
InChIKeyOJYGCIUUUSDKCA-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.44
Rot. Bonds4

About 4-(aminomethyl)-N-(2-phenyl-4-pyridinyl)oxane-4-carboxamide

4-(aminomethyl)-N-(2-phenyl-4-pyridinyl)oxane-4-carboxamide (PubChem CID 120941121) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-phenyl-4-pyridinyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-phenyl-4-pyridinyl)oxane-4-carboxamide
PubChem CID120941121
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name4-(aminomethyl)-N-(2-phenyl-4-pyridinyl)oxane-4-carboxamide
SMILESNCC1(C(=O)Nc2ccnc(-c3ccccc3)c2)CCOCC1
InChIInChI=1S/C18H21N3O2/c19-13-18(7-10-23-11-8-18)17(22)21-15-6-9-20-16(12-15)14-4-2-1-3-5-14/h1-6,9,12H,7-8,10-11,13,19H2,(H,20,21,22)
InChIKeyOJYGCIUUUSDKCA-UHFFFAOYSA-N
XLogP2.44
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[3-(4-methylpyrimidin-2-yl)phenyl]oxane-4-carboxamide
CID 120933382
4-(aminomethyl)-N-[4-(phenylcarbamoylamino)phenyl]oxane-4-carboxamide;hydrochloride
CID 120920865
4-(aminomethyl)-N-(4-phenyl-1,3-thiazol-2-yl)oxane-4-carboxamide;hydrochloride
CID 120916927
4-(aminomethyl)-N-(4-iodophenyl)oxane-4-carboxamide
CID 113310082
5-[[4-(aminomethyl)oxane-4-carbonyl]amino]pyridine-2-carboxylic acid
CID 115439810
1-(aminomethyl)-N-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 80599055
4-(aminomethyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide
CID 120939549
4-(aminomethyl)-N-(3-carbamoyl-4-chlorophenyl)oxane-4-carboxamide;hydrochloride
CID 120922590
4-[[4-(aminomethyl)oxane-4-carbonyl]amino]-2-chlorobenzoic acid
CID 115439486
4-(aminomethyl)-N-dibenzofuran-3-yloxane-4-carboxamide;hydrochloride
CID 120925687
4-(aminomethyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)oxane-4-carboxamide;dihydrochloride
CID 120939461
4-(aminomethyl)-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]oxane-4-carboxamide
CID 120925376

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-phenyl-4-pyridinyl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(2-phenyl-4-pyridinyl)oxane-4-carboxamide (CID 120941121) is 4-(aminomethyl)-N-(2-phenyl-4-pyridinyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-phenyl-4-pyridinyl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-phenyl-4-pyridinyl)oxane-4-carboxamide is NCC1(C(=O)Nc2ccnc(-c3ccccc3)c2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-phenyl-4-pyridinyl)oxane-4-carboxamide?
The InChIKey is OJYGCIUUUSDKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c19-13-18(7-10-23-11-8-18)17(22)21-15-6-9-20-16(12-15)14-4-2-1-3-5-14/h1-6,9,12H,7-8,10-11,13,19H2,(H,20,21,22).
What are the key properties of 4-(aminomethyl)-N-(2-phenyl-4-pyridinyl)oxane-4-carboxamide?
4-(aminomethyl)-N-(2-phenyl-4-pyridinyl)oxane-4-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-phenyl-4-pyridinyl)oxane-4-carboxamide is sourced from PubChem (CID 120941121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).