N-(5-cyclohexyl-2-pyridinyl)-2-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]acetamide

C22H30N4O — CID 166380011

IUPACN-(5-cyclohexyl-2-pyridinyl)-2-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(CC2CC2)c(C)c1CC(=O)Nc1ccc(C2CCCCC2)cn1
InChIInChI=1S/C22H30N4O/c1-15-20(16(2)26(25-15)14-17-8-9-17)12-22(27)24-21-11-10-19(13-23-21)18-6-4-3-5-7-18/h10-11,13,17-18H,3-9,12,14H2,1-2H3,(H,23,24,27)
InChIKeyGBKYQYWNGCKOMU-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.53
Rot. Bonds6

About N-(5-cyclohexyl-2-pyridinyl)-2-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]acetamide

N-(5-cyclohexyl-2-pyridinyl)-2-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 166380011) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-(5-cyclohexyl-2-pyridinyl)-2-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-2-pyridinyl)-2-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID166380011
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-(5-cyclohexyl-2-pyridinyl)-2-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(CC2CC2)c(C)c1CC(=O)Nc1ccc(C2CCCCC2)cn1
InChIInChI=1S/C22H30N4O/c1-15-20(16(2)26(25-15)14-17-8-9-17)12-22(27)24-21-11-10-19(13-23-21)18-6-4-3-5-7-18/h10-11,13,17-18H,3-9,12,14H2,1-2H3,(H,23,24,27)
InChIKeyGBKYQYWNGCKOMU-UHFFFAOYSA-N
XLogP4.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-2-pyridinyl)-2-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-(5-cyclohexyl-2-pyridinyl)-2-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 166380011) is N-(5-cyclohexyl-2-pyridinyl)-2-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-(5-cyclohexyl-2-pyridinyl)-2-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-(5-cyclohexyl-2-pyridinyl)-2-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]acetamide is Cc1nn(CC2CC2)c(C)c1CC(=O)Nc1ccc(C2CCCCC2)cn1.
What is the InChIKey of N-(5-cyclohexyl-2-pyridinyl)-2-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is GBKYQYWNGCKOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-15-20(16(2)26(25-15)14-17-8-9-17)12-22(27)24-21-11-10-19(13-23-21)18-6-4-3-5-7-18/h10-11,13,17-18H,3-9,12,14H2,1-2H3,(H,23,24,27).
What are the key properties of N-(5-cyclohexyl-2-pyridinyl)-2-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-(5-cyclohexyl-2-pyridinyl)-2-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 366.51 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-2-pyridinyl)-2-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 166380011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).