N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-4-phenyloxane-4-carboxamide

C22H22N2O3 — CID 119106237

IUPACN-[[5-(furan-3-yl)-3-pyridinyl]methyl]-4-phenyloxane-4-carboxamide
SMILESO=C(NCc1cncc(-c2ccoc2)c1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H22N2O3/c25-21(22(7-10-26-11-8-22)20-4-2-1-3-5-20)24-14-17-12-19(15-23-13-17)18-6-9-27-16-18/h1-6,9,12-13,15-16H,7-8,10-11,14H2,(H,24,25)
InChIKeyKVXPTVZORYUZNS-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.71
Rot. Bonds5

About N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-4-phenyloxane-4-carboxamide

N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-4-phenyloxane-4-carboxamide (PubChem CID 119106237) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(furan-3-yl)-3-pyridinyl]methyl]-4-phenyloxane-4-carboxamide
PubChem CID119106237
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-[[5-(furan-3-yl)-3-pyridinyl]methyl]-4-phenyloxane-4-carboxamide
SMILESO=C(NCc1cncc(-c2ccoc2)c1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C22H22N2O3/c25-21(22(7-10-26-11-8-22)20-4-2-1-3-5-20)24-14-17-12-19(15-23-13-17)18-6-9-27-16-18/h1-6,9,12-13,15-16H,7-8,10-11,14H2,(H,24,25)
InChIKeyKVXPTVZORYUZNS-UHFFFAOYSA-N
XLogP3.71
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 56922873
2-morpholin-4-ylethyl N-[[5-(furan-3-yl)-3-pyridinyl]methyl]carbamate
CID 119106258
1-[[5-(furan-3-yl)-3-pyridinyl]methyl]-3-(thiophen-2-ylmethyl)urea
CID 122162911
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-4-phenyloxane-4-carboxamide
CID 47085199
N-[(3-methoxy-4-methylphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 51092485
N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 56922098
4-phenyl-N-[2-(2-phenylpyrimidin-5-yl)ethyl]oxane-4-carboxamide
CID 91813405
N-[[5-(furan-3-yl)-3-pyridinyl]methyl]cyclohex-3-ene-1-carboxamide
CID 119106241
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-4-(4-fluorophenyl)oxane-4-carboxamide
CID 119064513
2-[[(4-phenyloxane-4-carbonyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245095
N-[(3-cyclohexyloxyphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 86941870

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-4-phenyloxane-4-carboxamide (CID 119106237) is N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-4-phenyloxane-4-carboxamide is O=C(NCc1cncc(-c2ccoc2)c1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-4-phenyloxane-4-carboxamide?
The InChIKey is KVXPTVZORYUZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c25-21(22(7-10-26-11-8-22)20-4-2-1-3-5-20)24-14-17-12-19(15-23-13-17)18-6-9-27-16-18/h1-6,9,12-13,15-16H,7-8,10-11,14H2,(H,24,25).
What are the key properties of N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-4-phenyloxane-4-carboxamide?
N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-4-phenyloxane-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-3-yl)-3-pyridinyl]methyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 119106237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).