N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(propanoylamino)-1H-pyrazine-2-carboxamide

C20H25F2N5O3 — CID 150403985

IUPACN-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(propanoylamino)-1H-pyrazine-2-carboxamide
SMILESCCC(=O)NC1(C(=O)NC(C)c2cnc(OCC(F)F)c(C3CC3)c2)C=NC=CN1
InChIInChI=1S/C20H25F2N5O3/c1-3-17(28)27-20(11-23-6-7-25-20)19(29)26-12(2)14-8-15(13-4-5-13)18(24-9-14)30-10-16(21)22/h6-9,11-13,16,25H,3-5,10H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyHEIZNGMVYVFSTJ-UHFFFAOYSA-N
MW421.45 g/mol
LogP2.15
Rot. Bonds9

About N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(propanoylamino)-1H-pyrazine-2-carboxamide

N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(propanoylamino)-1H-pyrazine-2-carboxamide (PubChem CID 150403985) has the molecular formula C20H25F2N5O3 and a molecular weight of 421.45 g/mol. Its IUPAC name is N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(propanoylamino)-1H-pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(propanoylamino)-1H-pyrazine-2-carboxamide
PubChem CID150403985
Molecular FormulaC20H25F2N5O3
Molecular Weight421.45 g/mol
Exact Mass421.19
IUPAC NameN-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(propanoylamino)-1H-pyrazine-2-carboxamide
SMILESCCC(=O)NC1(C(=O)NC(C)c2cnc(OCC(F)F)c(C3CC3)c2)C=NC=CN1
InChIInChI=1S/C20H25F2N5O3/c1-3-17(28)27-20(11-23-6-7-25-20)19(29)26-12(2)14-8-15(13-4-5-13)18(24-9-14)30-10-16(21)22/h6-9,11-13,16,25H,3-5,10H2,1-2H3,(H,26,29)(H,27,28)
InChIKeyHEIZNGMVYVFSTJ-UHFFFAOYSA-N
XLogP2.15
TPSA104.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.45
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-cyclopropyl-2-oxoethyl)-6-methylpyridine-4-carboxamide
CID 160650690
1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]propan-1-one
CID 174687394
N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 87426669
2-acetamido-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide
CID 174836817
1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethylcarbamic acid
CID 87427111
N-[2-[[4-(2,2-difluoroethoxy)-3-fluorophenyl]methylamino]-1H-pyrazin-2-yl]propanamide
CID 174811154
N-[1-[5-chloro-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-[(2-cyclopropylacetyl)amino]-6-methylpyridine-4-carboxamide
CID 87426752
2-(2-cyclopropyl-2-oxoethyl)-N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]-6-methylpyridine-4-carboxamide
CID 148558699
(2R)-2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-1H-pyrazine-2-carboxamide
CID 174811319
2-acetamido-6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1H-pyrazine-2-carboxamide
CID 174811038
2-acetamido-N-[[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 87426751
N-[1-[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]ethyl]propan-2-amine
CID 151855851

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(propanoylamino)-1H-pyrazine-2-carboxamide?
The IUPAC name of N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(propanoylamino)-1H-pyrazine-2-carboxamide (CID 150403985) is N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(propanoylamino)-1H-pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(propanoylamino)-1H-pyrazine-2-carboxamide?
The canonical SMILES for N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(propanoylamino)-1H-pyrazine-2-carboxamide is CCC(=O)NC1(C(=O)NC(C)c2cnc(OCC(F)F)c(C3CC3)c2)C=NC=CN1.
What is the InChIKey of N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(propanoylamino)-1H-pyrazine-2-carboxamide?
The InChIKey is HEIZNGMVYVFSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N5O3/c1-3-17(28)27-20(11-23-6-7-25-20)19(29)26-12(2)14-8-15(13-4-5-13)18(24-9-14)30-10-16(21)22/h6-9,11-13,16,25H,3-5,10H2,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(propanoylamino)-1H-pyrazine-2-carboxamide?
N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(propanoylamino)-1H-pyrazine-2-carboxamide has a molecular weight of 421.45 g/mol, XLogP of 2.15, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(propanoylamino)-1H-pyrazine-2-carboxamide is sourced from PubChem (CID 150403985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).