3-cyclopropyl-N-(4-methyl-3-pyridinyl)cyclobutane-1-carboxamide

C14H18N2O — CID 154866117

IUPAC3-cyclopropyl-N-(4-methyl-3-pyridinyl)cyclobutane-1-carboxamide
SMILESCc1ccncc1NC(=O)[C@H]1C[C@H](C2CC2)C1
InChIInChI=1S/C14H18N2O/c1-9-4-5-15-8-13(9)16-14(17)12-6-11(7-12)10-2-3-10/h4-5,8,10-12H,2-3,6-7H2,1H3,(H,16,17)/t11-,12-
InChIKeySPZNGMCOZXKTMM-HAQNSBGRSA-N
MW230.31 g/mol
LogP2.76
Rot. Bonds3

About 3-cyclopropyl-N-(4-methyl-3-pyridinyl)cyclobutane-1-carboxamide

3-cyclopropyl-N-(4-methyl-3-pyridinyl)cyclobutane-1-carboxamide (PubChem CID 154866117) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-cyclopropyl-N-(4-methyl-3-pyridinyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-(4-methyl-3-pyridinyl)cyclobutane-1-carboxamide
PubChem CID154866117
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-cyclopropyl-N-(4-methyl-3-pyridinyl)cyclobutane-1-carboxamide
SMILESCc1ccncc1NC(=O)[C@H]1C[C@H](C2CC2)C1
InChIInChI=1S/C14H18N2O/c1-9-4-5-15-8-13(9)16-14(17)12-6-11(7-12)10-2-3-10/h4-5,8,10-12H,2-3,6-7H2,1H3,(H,16,17)/t11-,12-
InChIKeySPZNGMCOZXKTMM-HAQNSBGRSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(4-methyl-3-pyridinyl)cyclobutane-1-carboxamide?
The IUPAC name of 3-cyclopropyl-N-(4-methyl-3-pyridinyl)cyclobutane-1-carboxamide (CID 154866117) is 3-cyclopropyl-N-(4-methyl-3-pyridinyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-(4-methyl-3-pyridinyl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-(4-methyl-3-pyridinyl)cyclobutane-1-carboxamide is Cc1ccncc1NC(=O)[C@H]1C[C@H](C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-N-(4-methyl-3-pyridinyl)cyclobutane-1-carboxamide?
The InChIKey is SPZNGMCOZXKTMM-HAQNSBGRSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9-4-5-15-8-13(9)16-14(17)12-6-11(7-12)10-2-3-10/h4-5,8,10-12H,2-3,6-7H2,1H3,(H,16,17)/t11-,12-.
What are the key properties of 3-cyclopropyl-N-(4-methyl-3-pyridinyl)cyclobutane-1-carboxamide?
3-cyclopropyl-N-(4-methyl-3-pyridinyl)cyclobutane-1-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(4-methyl-3-pyridinyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 154866117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).