5-N-cycloheptyl-3-N,1-dicyclopropyl-4-oxo-3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3,5-dicarboxamide

C27H37N5O3 — CID 25366094

IUPAC5-N-cycloheptyl-3-N,1-dicyclopropyl-4-oxo-3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3,5-dicarboxamide
SMILESCc1nn(C)c(C)c1CN(C(=O)c1cn(C2CC2)cc(C(=O)NC2CCCCCC2)c1=O)C1CC1
InChIInChI=1S/C27H37N5O3/c1-17-22(18(2)30(3)29-17)16-32(21-12-13-21)27(35)24-15-31(20-10-11-20)14-23(25(24)33)26(34)28-19-8-6-4-5-7-9-19/h14-15,19-21H,4-13,16H2,1-3H3,(H,28,34)
InChIKeyKZRGEHBQSIXKFY-UHFFFAOYSA-N
MW479.63 g/mol
LogP3.79
Rot. Bonds7

About 5-N-cycloheptyl-3-N,1-dicyclopropyl-4-oxo-3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3,5-dicarboxamide

5-N-cycloheptyl-3-N,1-dicyclopropyl-4-oxo-3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3,5-dicarboxamide (PubChem CID 25366094) has the molecular formula C27H37N5O3 and a molecular weight of 479.63 g/mol. Its IUPAC name is 5-N-cycloheptyl-3-N,1-dicyclopropyl-4-oxo-3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-cycloheptyl-3-N,1-dicyclopropyl-4-oxo-3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3,5-dicarboxamide
PubChem CID25366094
Molecular FormulaC27H37N5O3
Molecular Weight479.63 g/mol
Exact Mass479.29
IUPAC Name5-N-cycloheptyl-3-N,1-dicyclopropyl-4-oxo-3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3,5-dicarboxamide
SMILESCc1nn(C)c(C)c1CN(C(=O)c1cn(C2CC2)cc(C(=O)NC2CCCCCC2)c1=O)C1CC1
InChIInChI=1S/C27H37N5O3/c1-17-22(18(2)30(3)29-17)16-32(21-12-13-21)27(35)24-15-31(20-10-11-20)14-23(25(24)33)26(34)28-19-8-6-4-5-7-9-19/h14-15,19-21H,4-13,16H2,1-3H3,(H,28,34)
InChIKeyKZRGEHBQSIXKFY-UHFFFAOYSA-N
XLogP3.79
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-cycloheptyl-3-N,1-dicyclopropyl-4-oxo-3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-cycloheptyl-3-N,1-dicyclopropyl-4-oxo-3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3,5-dicarboxamide (CID 25366094) is 5-N-cycloheptyl-3-N,1-dicyclopropyl-4-oxo-3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-cycloheptyl-3-N,1-dicyclopropyl-4-oxo-3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-cycloheptyl-3-N,1-dicyclopropyl-4-oxo-3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3,5-dicarboxamide is Cc1nn(C)c(C)c1CN(C(=O)c1cn(C2CC2)cc(C(=O)NC2CCCCCC2)c1=O)C1CC1.
What is the InChIKey of 5-N-cycloheptyl-3-N,1-dicyclopropyl-4-oxo-3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3,5-dicarboxamide?
The InChIKey is KZRGEHBQSIXKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N5O3/c1-17-22(18(2)30(3)29-17)16-32(21-12-13-21)27(35)24-15-31(20-10-11-20)14-23(25(24)33)26(34)28-19-8-6-4-5-7-9-19/h14-15,19-21H,4-13,16H2,1-3H3,(H,28,34).
What are the key properties of 5-N-cycloheptyl-3-N,1-dicyclopropyl-4-oxo-3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3,5-dicarboxamide?
5-N-cycloheptyl-3-N,1-dicyclopropyl-4-oxo-3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3,5-dicarboxamide has a molecular weight of 479.63 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cycloheptyl-3-N,1-dicyclopropyl-4-oxo-3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-3,5-dicarboxamide is sourced from PubChem (CID 25366094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).