N-[4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]cyclohexyl]acetamide

C17H23N5O — CID 86801992

IUPACN-[4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(NCc2ccnc(-n3cccn3)c2)CC1
InChIInChI=1S/C17H23N5O/c1-13(23)21-16-5-3-15(4-6-16)19-12-14-7-9-18-17(11-14)22-10-2-8-20-22/h2,7-11,15-16,19H,3-6,12H2,1H3,(H,21,23)
InChIKeyZZMXENWSFBRTOW-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.80
Rot. Bonds5

About N-[4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]cyclohexyl]acetamide

N-[4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]cyclohexyl]acetamide (PubChem CID 86801992) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]cyclohexyl]acetamide
PubChem CID86801992
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-[4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(NCc2ccnc(-n3cccn3)c2)CC1
InChIInChI=1S/C17H23N5O/c1-13(23)21-16-5-3-15(4-6-16)19-12-14-7-9-18-17(11-14)22-10-2-8-20-22/h2,7-11,15-16,19H,3-6,12H2,1H3,(H,21,23)
InChIKeyZZMXENWSFBRTOW-UHFFFAOYSA-N
XLogP1.80
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-propyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]cyclohexan-1-amine
CID 78871623
1-cyclopentyl-2-methyl-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 110989663
(3S,5S)-3,5-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1-carboxamide
CID 94030798
1-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 168892581
(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120632675
2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]propan-2-amine
CID 62294663
1-(2-phenylcyclopropyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 168955827
2-methyl-1-(3-methylsulfanylcyclopentyl)-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111528837
1-cyclohexyl-2-[(2-pyrazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111049820
4-N,4-N-dimethyl-1-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 87004175
N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119846944
4,6-dimethyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyrimidin-2-amine
CID 32805633

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]cyclohexyl]acetamide?
The IUPAC name of N-[4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]cyclohexyl]acetamide (CID 86801992) is N-[4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]cyclohexyl]acetamide.
What is the SMILES notation for N-[4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]cyclohexyl]acetamide?
The canonical SMILES for N-[4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]cyclohexyl]acetamide is CC(=O)NC1CCC(NCc2ccnc(-n3cccn3)c2)CC1.
What is the InChIKey of N-[4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]cyclohexyl]acetamide?
The InChIKey is ZZMXENWSFBRTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13(23)21-16-5-3-15(4-6-16)19-12-14-7-9-18-17(11-14)22-10-2-8-20-22/h2,7-11,15-16,19H,3-6,12H2,1H3,(H,21,23).
What are the key properties of N-[4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]cyclohexyl]acetamide?
N-[4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]cyclohexyl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]cyclohexyl]acetamide is sourced from PubChem (CID 86801992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).