N-(4-butylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide

C19H22N2O — CID 47084288

IUPACN-(4-butylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCCCCc1ccc(NC(=O)C2CC2c2cccnc2)cc1
InChIInChI=1S/C19H22N2O/c1-2-3-5-14-7-9-16(10-8-14)21-19(22)18-12-17(18)15-6-4-11-20-13-15/h4,6-11,13,17-18H,2-3,5,12H2,1H3,(H,21,22)
InChIKeyCQMHRXNSZNJXJI-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.17
Rot. Bonds6

About N-(4-butylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide

N-(4-butylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 47084288) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-(4-butylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide
PubChem CID47084288
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-(4-butylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide
SMILESCCCCc1ccc(NC(=O)C2CC2c2cccnc2)cc1
InChIInChI=1S/C19H22N2O/c1-2-3-5-14-7-9-16(10-8-14)21-19(22)18-12-17(18)15-6-4-11-20-13-15/h4,6-11,13,17-18H,2-3,5,12H2,1H3,(H,21,22)
InChIKeyCQMHRXNSZNJXJI-UHFFFAOYSA-N
XLogP4.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-butylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide (CID 47084288) is N-(4-butylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide is CCCCc1ccc(NC(=O)C2CC2c2cccnc2)cc1.
What is the InChIKey of N-(4-butylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide?
The InChIKey is CQMHRXNSZNJXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c1-2-3-5-14-7-9-16(10-8-14)21-19(22)18-12-17(18)15-6-4-11-20-13-15/h4,6-11,13,17-18H,2-3,5,12H2,1H3,(H,21,22).
What are the key properties of N-(4-butylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide?
N-(4-butylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-2-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 47084288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).