N-tert-butyl-5-[[4-carbamoyl-1-(2-cyanocyclohexyl)pyrazol-3-yl]amino]pyridine-3-carboxamide

C21H27N7O2 — CID 89464244

IUPACN-tert-butyl-5-[[4-carbamoyl-1-(2-cyanocyclohexyl)pyrazol-3-yl]amino]pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cncc(Nc2nn(C3CCCCC3C#N)cc2C(N)=O)c1
InChIInChI=1S/C21H27N7O2/c1-21(2,3)26-20(30)14-8-15(11-24-10-14)25-19-16(18(23)29)12-28(27-19)17-7-5-4-6-13(17)9-22/h8,10-13,17H,4-7H2,1-3H3,(H2,23,29)(H,25,27)(H,26,30)
InChIKeyRYAFONJHSXGTGV-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.90
Rot. Bonds5

About N-tert-butyl-5-[[4-carbamoyl-1-(2-cyanocyclohexyl)pyrazol-3-yl]amino]pyridine-3-carboxamide

N-tert-butyl-5-[[4-carbamoyl-1-(2-cyanocyclohexyl)pyrazol-3-yl]amino]pyridine-3-carboxamide (PubChem CID 89464244) has the molecular formula C21H27N7O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-tert-butyl-5-[[4-carbamoyl-1-(2-cyanocyclohexyl)pyrazol-3-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-[[4-carbamoyl-1-(2-cyanocyclohexyl)pyrazol-3-yl]amino]pyridine-3-carboxamide
PubChem CID89464244
Molecular FormulaC21H27N7O2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC NameN-tert-butyl-5-[[4-carbamoyl-1-(2-cyanocyclohexyl)pyrazol-3-yl]amino]pyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cncc(Nc2nn(C3CCCCC3C#N)cc2C(N)=O)c1
InChIInChI=1S/C21H27N7O2/c1-21(2,3)26-20(30)14-8-15(11-24-10-14)25-19-16(18(23)29)12-28(27-19)17-7-5-4-6-13(17)9-22/h8,10-13,17H,4-7H2,1-3H3,(H2,23,29)(H,25,27)(H,26,30)
InChIKeyRYAFONJHSXGTGV-UHFFFAOYSA-N
XLogP2.90
TPSA138.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(1S,2S)-2-cyanocyclohexyl]-3-[(5-methyl-3-pyridinyl)amino]pyrazole-4-carboxamide
CID 90355888
1-(2-cyanocyclohexyl)-3-(pyridin-3-ylamino)pyrazole-4-carboxamide
CID 123527862
1-(2-cyanocyclohexyl)-3-[(6-cyano-5-methyl-3-pyridinyl)amino]pyrazole-4-carboxamide
CID 89463355
3-(4-acetylanilino)-1-[(1S,2S)-2-cyanocyclohexyl]pyrazole-4-carboxamide
CID 89471116
1-[(1S)-2-cyanocyclohexyl]-3-[[2-(trifluoromethyl)-4-pyridinyl]amino]pyrazole-4-carboxamide
CID 130285533
1-(2-cyanocyclohexyl)-3-[3-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)anilino]pyrazole-4-carboxamide;fluoroform
CID 144556387
1-(2-cyanocyclohexyl)-3-[4-(pyridin-4-ylsulfamoyl)anilino]pyrazole-4-carboxamide
CID 89464013
1-[(1S,2S)-2-cyanocyclohexyl]-3-[4-(pyridin-4-ylsulfamoyl)anilino]pyrazole-4-carboxamide
CID 90369664
1-(2-cyanocyclohexyl)-3-[(1,1-dioxo-1-benzothiophen-5-yl)amino]pyrazole-4-carboxamide
CID 89464190
1-[(1S,2S,4R)-2-cyano-4-hydroxycyclohexyl]-3-[4-(2-methoxypropan-2-yl)anilino]pyrazole-4-carboxamide
CID 89471044
1-[(1S,2S)-2-cyanocyclohexyl]-3-[4-(2-methylpropylsulfonyl)anilino]pyrazole-4-carboxamide
CID 152989344
1-[(2S)-2-cyanocyclohexyl]-3-[(1,1-dioxo-1-benzothiophen-5-yl)amino]pyrazole-4-carboxamide
CID 90367200

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[[4-carbamoyl-1-(2-cyanocyclohexyl)pyrazol-3-yl]amino]pyridine-3-carboxamide?
The IUPAC name of N-tert-butyl-5-[[4-carbamoyl-1-(2-cyanocyclohexyl)pyrazol-3-yl]amino]pyridine-3-carboxamide (CID 89464244) is N-tert-butyl-5-[[4-carbamoyl-1-(2-cyanocyclohexyl)pyrazol-3-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-[[4-carbamoyl-1-(2-cyanocyclohexyl)pyrazol-3-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-[[4-carbamoyl-1-(2-cyanocyclohexyl)pyrazol-3-yl]amino]pyridine-3-carboxamide is CC(C)(C)NC(=O)c1cncc(Nc2nn(C3CCCCC3C#N)cc2C(N)=O)c1.
What is the InChIKey of N-tert-butyl-5-[[4-carbamoyl-1-(2-cyanocyclohexyl)pyrazol-3-yl]amino]pyridine-3-carboxamide?
The InChIKey is RYAFONJHSXGTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O2/c1-21(2,3)26-20(30)14-8-15(11-24-10-14)25-19-16(18(23)29)12-28(27-19)17-7-5-4-6-13(17)9-22/h8,10-13,17H,4-7H2,1-3H3,(H2,23,29)(H,25,27)(H,26,30).
What are the key properties of N-tert-butyl-5-[[4-carbamoyl-1-(2-cyanocyclohexyl)pyrazol-3-yl]amino]pyridine-3-carboxamide?
N-tert-butyl-5-[[4-carbamoyl-1-(2-cyanocyclohexyl)pyrazol-3-yl]amino]pyridine-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[[4-carbamoyl-1-(2-cyanocyclohexyl)pyrazol-3-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 89464244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).