N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-(5-methoxy-3-pyridinyl)propanamide

C17H24N2O3 — CID 110028029

IUPACN-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-(5-methoxy-3-pyridinyl)propanamide
SMILESCOc1cncc(CCC(=O)NC2C3CCC(C3)C2CO)c1
InChIInChI=1S/C17H24N2O3/c1-22-14-6-11(8-18-9-14)2-5-16(21)19-17-13-4-3-12(7-13)15(17)10-20/h6,8-9,12-13,15,17,20H,2-5,7,10H2,1H3,(H,19,21)
InChIKeyXCIZVSGQMXDUAR-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.55
Rot. Bonds6

About N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-(5-methoxy-3-pyridinyl)propanamide

N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-(5-methoxy-3-pyridinyl)propanamide (PubChem CID 110028029) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-(5-methoxy-3-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-(5-methoxy-3-pyridinyl)propanamide
PubChem CID110028029
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-(5-methoxy-3-pyridinyl)propanamide
SMILESCOc1cncc(CCC(=O)NC2C3CCC(C3)C2CO)c1
InChIInChI=1S/C17H24N2O3/c1-22-14-6-11(8-18-9-14)2-5-16(21)19-17-13-4-3-12(7-13)15(17)10-20/h6,8-9,12-13,15,17,20H,2-5,7,10H2,1H3,(H,19,21)
InChIKeyXCIZVSGQMXDUAR-UHFFFAOYSA-N
XLogP1.55
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-methoxy-3-pyridinyl)butan-2-one
CID 69229885
N-(1-hydroxy-3-methylpentan-3-yl)-3-(5-methoxy-3-pyridinyl)propanamide
CID 110028276
N-[(5-methoxy-3-pyridinyl)methyl]-3-pyridin-4-ylpropanamide
CID 126829062
N-[(1S,6R,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-pyridin-3-ylpropanamide
CID 92596571
N-[(1R,6S,7S,8R)-8-(4-methoxyphenyl)-7-bicyclo[4.2.0]octanyl]-3-pyridin-3-ylpropanamide
CID 92596568
cis-(1R,2S)-2-[3-(3,5-dimethoxyphenyl)propanoylamino]cyclohexane-1-carboxamide
CID 96528414
3-(3-methoxyphenyl)-N-piperidin-4-ylpropanamide
CID 119389634
3-(2-bromoethyl)-5-methoxypyridine
CID 22037882
N-[(1S,3S,4S)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)propanamide
CID 98783683
3-(4-methoxyphenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119388852
N-cyclopropyl-5-methoxy-2-(3-pyridin-3-ylpropanoylamino)benzamide
CID 56782320
4-[3-(3-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229032

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-(5-methoxy-3-pyridinyl)propanamide?
The IUPAC name of N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-(5-methoxy-3-pyridinyl)propanamide (CID 110028029) is N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-(5-methoxy-3-pyridinyl)propanamide.
What is the SMILES notation for N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-(5-methoxy-3-pyridinyl)propanamide?
The canonical SMILES for N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-(5-methoxy-3-pyridinyl)propanamide is COc1cncc(CCC(=O)NC2C3CCC(C3)C2CO)c1.
What is the InChIKey of N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-(5-methoxy-3-pyridinyl)propanamide?
The InChIKey is XCIZVSGQMXDUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-22-14-6-11(8-18-9-14)2-5-16(21)19-17-13-4-3-12(7-13)15(17)10-20/h6,8-9,12-13,15,17,20H,2-5,7,10H2,1H3,(H,19,21).
What are the key properties of N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-(5-methoxy-3-pyridinyl)propanamide?
N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-(5-methoxy-3-pyridinyl)propanamide has a molecular weight of 304.39 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-(5-methoxy-3-pyridinyl)propanamide is sourced from PubChem (CID 110028029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).