N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide

C17H24N2O2 — CID 95120246

IUPACN-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)N[C@@H](c2cc(C)ccn2)C2CC2)CCC1
InChIInChI=1S/C17H24N2O2/c1-12-6-9-18-14(10-12)15(13-4-5-13)19-16(20)17(11-21-2)7-3-8-17/h6,9-10,13,15H,3-5,7-8,11H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyGNKPCEGVKSETKZ-OAHLLOKOSA-N
MW288.39 g/mol
LogP2.77
Rot. Bonds6

About N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide

N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide (PubChem CID 95120246) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
PubChem CID95120246
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide
SMILESCOCC1(C(=O)N[C@@H](c2cc(C)ccn2)C2CC2)CCC1
InChIInChI=1S/C17H24N2O2/c1-12-6-9-18-14(10-12)15(13-4-5-13)19-16(20)17(11-21-2)7-3-8-17/h6,9-10,13,15H,3-5,7-8,11H2,1-2H3,(H,19,20)/t15-/m1/s1
InChIKeyGNKPCEGVKSETKZ-OAHLLOKOSA-N
XLogP2.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide (CID 95120246) is N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide is COCC1(C(=O)N[C@@H](c2cc(C)ccn2)C2CC2)CCC1.
What is the InChIKey of N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
The InChIKey is GNKPCEGVKSETKZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-6-9-18-14(10-12)15(13-4-5-13)19-16(20)17(11-21-2)7-3-8-17/h6,9-10,13,15H,3-5,7-8,11H2,1-2H3,(H,19,20)/t15-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide?
N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-(methoxymethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 95120246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).