(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide

C19H28N2O2 — CID 58363515

IUPAC(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
SMILESCC(C)(C)C(=O)[C@@H](NC(=O)C1C[C@@H]1c1cccnc1)C(C)(C)C
InChIInChI=1S/C19H28N2O2/c1-18(2,3)15(16(22)19(4,5)6)21-17(23)14-10-13(14)12-8-7-9-20-11-12/h7-9,11,13-15H,10H2,1-6H3,(H,21,23)/t13-,14?,15-/m1/s1
InChIKeyCKPFTQXLPGJAQM-GIJJTGMTSA-N
MW316.45 g/mol
LogP3.33
Rot. Bonds4

About (2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide

(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide (PubChem CID 58363515) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is (2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
PubChem CID58363515
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
SMILESCC(C)(C)C(=O)[C@@H](NC(=O)C1C[C@@H]1c1cccnc1)C(C)(C)C
InChIInChI=1S/C19H28N2O2/c1-18(2,3)15(16(22)19(4,5)6)21-17(23)14-10-13(14)12-8-7-9-20-11-12/h7-9,11,13-15H,10H2,1-6H3,(H,21,23)/t13-,14?,15-/m1/s1
InChIKeyCKPFTQXLPGJAQM-GIJJTGMTSA-N
XLogP3.33
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of (2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide (CID 58363515) is (2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for (2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for (2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide is CC(C)(C)C(=O)[C@@H](NC(=O)C1C[C@@H]1c1cccnc1)C(C)(C)C.
What is the InChIKey of (2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide?
The InChIKey is CKPFTQXLPGJAQM-GIJJTGMTSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-18(2,3)15(16(22)19(4,5)6)21-17(23)14-10-13(14)12-8-7-9-20-11-12/h7-9,11,13-15H,10H2,1-6H3,(H,21,23)/t13-,14?,15-/m1/s1.
What are the key properties of (2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide?
(2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide has a molecular weight of 316.45 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-pyridin-3-yl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 58363515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).