N-[5-[1-(hydroxymethyl)cyclobutyl]-2-pyridinyl]-3-methylbenzamide

C18H20N2O2 — CID 142525007

IUPACN-[5-[1-(hydroxymethyl)cyclobutyl]-2-pyridinyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C3(CO)CCC3)cn2)c1
InChIInChI=1S/C18H20N2O2/c1-13-4-2-5-14(10-13)17(22)20-16-7-6-15(11-19-16)18(12-21)8-3-9-18/h2,4-7,10-11,21H,3,8-9,12H2,1H3,(H,19,20,22)
InChIKeyVXXVVXJHVCJTLV-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.06
Rot. Bonds4

About N-[5-[1-(hydroxymethyl)cyclobutyl]-2-pyridinyl]-3-methylbenzamide

N-[5-[1-(hydroxymethyl)cyclobutyl]-2-pyridinyl]-3-methylbenzamide (PubChem CID 142525007) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[5-[1-(hydroxymethyl)cyclobutyl]-2-pyridinyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[5-[1-(hydroxymethyl)cyclobutyl]-2-pyridinyl]-3-methylbenzamide
PubChem CID142525007
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[5-[1-(hydroxymethyl)cyclobutyl]-2-pyridinyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(C3(CO)CCC3)cn2)c1
InChIInChI=1S/C18H20N2O2/c1-13-4-2-5-14(10-13)17(22)20-16-7-6-15(11-19-16)18(12-21)8-3-9-18/h2,4-7,10-11,21H,3,8-9,12H2,1H3,(H,19,20,22)
InChIKeyVXXVVXJHVCJTLV-UHFFFAOYSA-N
XLogP3.06
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[5-(3-methylanilino)-2-pyridinyl]benzamide
CID 113031421
N-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide
CID 113023966
N-(5-chloropyrazin-2-yl)-3-methylbenzamide
CID 104964166
N-[5-(3-acetylanilino)-2-pyridinyl]-3-methylbenzamide
CID 113034958
N-[6-(cyclohexylamino)-3-pyridinyl]-3-methylbenzamide
CID 113010050
3-methyl-N-[5-(4-pyridin-2-ylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 113029571
N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide
CID 62520382
N-[6-(cyclopropylamino)-3-pyridinyl]-3-methylbenzamide
CID 115268637
ethyl 4-[[6-[(3-methylbenzoyl)amino]-3-pyridinyl]amino]benzoate
CID 113036371
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230
3-[3-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]prop-2-enoic acid
CID 76906670
3-fluoro-N-[5-[4-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]benzamide
CID 113029367

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(hydroxymethyl)cyclobutyl]-2-pyridinyl]-3-methylbenzamide?
The IUPAC name of N-[5-[1-(hydroxymethyl)cyclobutyl]-2-pyridinyl]-3-methylbenzamide (CID 142525007) is N-[5-[1-(hydroxymethyl)cyclobutyl]-2-pyridinyl]-3-methylbenzamide.
What is the SMILES notation for N-[5-[1-(hydroxymethyl)cyclobutyl]-2-pyridinyl]-3-methylbenzamide?
The canonical SMILES for N-[5-[1-(hydroxymethyl)cyclobutyl]-2-pyridinyl]-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(C3(CO)CCC3)cn2)c1.
What is the InChIKey of N-[5-[1-(hydroxymethyl)cyclobutyl]-2-pyridinyl]-3-methylbenzamide?
The InChIKey is VXXVVXJHVCJTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-4-2-5-14(10-13)17(22)20-16-7-6-15(11-19-16)18(12-21)8-3-9-18/h2,4-7,10-11,21H,3,8-9,12H2,1H3,(H,19,20,22).
What are the key properties of N-[5-[1-(hydroxymethyl)cyclobutyl]-2-pyridinyl]-3-methylbenzamide?
N-[5-[1-(hydroxymethyl)cyclobutyl]-2-pyridinyl]-3-methylbenzamide has a molecular weight of 296.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(hydroxymethyl)cyclobutyl]-2-pyridinyl]-3-methylbenzamide is sourced from PubChem (CID 142525007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).