N-[1-(3-amino-1H-pyrazol-5-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

C19H24F3N5O2 — CID 141483720

IUPACN-[1-(3-amino-1H-pyrazol-5-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCC(C)(C)C(NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)c1cc(N)n[nH]1
InChIInChI=1S/C19H24F3N5O2/c1-18(2,3)16(12-7-15(23)27-26-12)25-17(28)13-6-14(29-9-19(20,21)22)11(8-24-13)10-4-5-10/h6-8,10,16H,4-5,9H2,1-3H3,(H,25,28)(H3,23,26,27)
InChIKeyCLKJKLUSRPRYGQ-UHFFFAOYSA-N
MW411.43 g/mol
LogP3.72
Rot. Bonds6

About N-[1-(3-amino-1H-pyrazol-5-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

N-[1-(3-amino-1H-pyrazol-5-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 141483720) has the molecular formula C19H24F3N5O2 and a molecular weight of 411.43 g/mol. Its IUPAC name is N-[1-(3-amino-1H-pyrazol-5-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-amino-1H-pyrazol-5-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID141483720
Molecular FormulaC19H24F3N5O2
Molecular Weight411.43 g/mol
Exact Mass411.19
IUPAC NameN-[1-(3-amino-1H-pyrazol-5-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESCC(C)(C)C(NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)c1cc(N)n[nH]1
InChIInChI=1S/C19H24F3N5O2/c1-18(2,3)16(12-7-15(23)27-26-12)25-17(28)13-6-14(29-9-19(20,21)22)11(8-24-13)10-4-5-10/h6-8,10,16H,4-5,9H2,1-3H3,(H,25,28)(H3,23,26,27)
InChIKeyCLKJKLUSRPRYGQ-UHFFFAOYSA-N
XLogP3.72
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopropyl-N-[(1R)-2,2-dimethyl-1-(1-methyltetrazol-5-yl)propyl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 118539973
N-tert-butyl-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90204122
5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxylic acid;2-methylpropan-2-amine
CID 158536635
N-[(2S)-4-amino-2-cyclopropyl-4-oxobutan-2-yl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90205070
5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 141483742
tert-butyl 3-cyclopropyl-3-[[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carbonyl]amino]butanoate
CID 90203437
5-cyclopropyl-N-[1-cyclopropyl-2-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-yl]-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 90214915
tert-butyl 2-(cyclopropylmethyl)-4-[5-cyclopropyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]-2-methyl-4-oxobutanoate
CID 158986571
5-cyclopropyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-[(2S)-1,1,2-trifluoropropan-2-yl]oxypyridine-2-carboxamide
CID 90204511
N-(1-cyano-2,2-dimethylpropyl)-5-cyclopropyl-4-[(2S)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
CID 90214975
5-cyclopropyl-N-[2,2-dimethyl-1-(1,3-thiazol-2-yl)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 71114290
5-cyclopropyl-N-[1-cyclopropyl-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyridine-2-carboxamide
CID 141483767

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-1H-pyrazol-5-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of N-[1-(3-amino-1H-pyrazol-5-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 141483720) is N-[1-(3-amino-1H-pyrazol-5-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(3-amino-1H-pyrazol-5-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for N-[1-(3-amino-1H-pyrazol-5-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is CC(C)(C)C(NC(=O)c1cc(OCC(F)(F)F)c(C2CC2)cn1)c1cc(N)n[nH]1.
What is the InChIKey of N-[1-(3-amino-1H-pyrazol-5-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The InChIKey is CLKJKLUSRPRYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O2/c1-18(2,3)16(12-7-15(23)27-26-12)25-17(28)13-6-14(29-9-19(20,21)22)11(8-24-13)10-4-5-10/h6-8,10,16H,4-5,9H2,1-3H3,(H,25,28)(H3,23,26,27).
What are the key properties of N-[1-(3-amino-1H-pyrazol-5-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
N-[1-(3-amino-1H-pyrazol-5-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 411.43 g/mol, XLogP of 3.72, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-1H-pyrazol-5-yl)-2,2-dimethylpropyl]-5-cyclopropyl-4-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 141483720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).