N-(4-chloro-3-pyridinyl)-2-(1-methoxycyclobutyl)acetamide

C12H15ClN2O2 — CID 103522047

IUPACN-(4-chloro-3-pyridinyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)Nc2cnccc2Cl)CCC1
InChIInChI=1S/C12H15ClN2O2/c1-17-12(4-2-5-12)7-11(16)15-10-8-14-6-3-9(10)13/h3,6,8H,2,4-5,7H2,1H3,(H,15,16)
InChIKeyRSQSWXDIWIETQR-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.63
Rot. Bonds4

About N-(4-chloro-3-pyridinyl)-2-(1-methoxycyclobutyl)acetamide

N-(4-chloro-3-pyridinyl)-2-(1-methoxycyclobutyl)acetamide (PubChem CID 103522047) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is N-(4-chloro-3-pyridinyl)-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridinyl)-2-(1-methoxycyclobutyl)acetamide
PubChem CID103522047
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC NameN-(4-chloro-3-pyridinyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)Nc2cnccc2Cl)CCC1
InChIInChI=1S/C12H15ClN2O2/c1-17-12(4-2-5-12)7-11(16)15-10-8-14-6-3-9(10)13/h3,6,8H,2,4-5,7H2,1H3,(H,15,16)
InChIKeyRSQSWXDIWIETQR-UHFFFAOYSA-N
XLogP2.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloropyrazin-2-yl)-2-(1-methoxycyclobutyl)acetamide
CID 103558724
N-(4-amino-5-chloro-2-methylphenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103555460
2-[[2-(1-methoxycyclobutyl)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide
CID 119047422
N-(2-acetylphenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103520067
2-(azetidin-3-yl)-N-(4-chloro-3-pyridinyl)acetamide
CID 83167857
N-(4-chloro-3-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 113236705
3-[[2-(1-methoxycyclobutyl)acetyl]amino]-4-methylbenzoic acid
CID 103555485
4-[[2-(1-methoxycyclobutyl)acetyl]amino]-3-methylbenzoic acid
CID 103555498
4-[(4-chloro-3-pyridinyl)amino]-2,2-dimethyl-4-oxobutanoic acid
CID 83165894
N-(3-fluoro-4-hydroxyphenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103557015
N-(5-bromo-1,3-thiazol-2-yl)-2-(1-methoxycyclobutyl)acetamide
CID 103556726
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-(1-methoxycyclobutyl)acetamide
CID 103557096

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridinyl)-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-(4-chloro-3-pyridinyl)-2-(1-methoxycyclobutyl)acetamide (CID 103522047) is N-(4-chloro-3-pyridinyl)-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-(4-chloro-3-pyridinyl)-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-(4-chloro-3-pyridinyl)-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)Nc2cnccc2Cl)CCC1.
What is the InChIKey of N-(4-chloro-3-pyridinyl)-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is RSQSWXDIWIETQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-17-12(4-2-5-12)7-11(16)15-10-8-14-6-3-9(10)13/h3,6,8H,2,4-5,7H2,1H3,(H,15,16).
What are the key properties of N-(4-chloro-3-pyridinyl)-2-(1-methoxycyclobutyl)acetamide?
N-(4-chloro-3-pyridinyl)-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 254.72 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridinyl)-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 103522047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).