N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide

C20H24F2N4O3 — CID 67509480

IUPACN-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
SMILESCCC(=O)Nc1cc(C(=O)NC(C)c2ccc(OCC(C)(F)F)nc2)cc(C)n1
InChIInChI=1S/C20H24F2N4O3/c1-5-17(27)26-16-9-15(8-12(2)24-16)19(28)25-13(3)14-6-7-18(23-10-14)29-11-20(4,21)22/h6-10,13H,5,11H2,1-4H3,(H,25,28)(H,24,26,27)
InChIKeyJKZNPWKLBOJDSO-UHFFFAOYSA-N
MW406.43 g/mol
LogP3.66
Rot. Bonds8

About N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide

N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide (PubChem CID 67509480) has the molecular formula C20H24F2N4O3 and a molecular weight of 406.43 g/mol. Its IUPAC name is N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
PubChem CID67509480
Molecular FormulaC20H24F2N4O3
Molecular Weight406.43 g/mol
Exact Mass406.18
IUPAC NameN-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
SMILESCCC(=O)Nc1cc(C(=O)NC(C)c2ccc(OCC(C)(F)F)nc2)cc(C)n1
InChIInChI=1S/C20H24F2N4O3/c1-5-17(27)26-16-9-15(8-12(2)24-16)19(28)25-13(3)14-6-7-18(23-10-14)29-11-20(4,21)22/h6-10,13H,5,11H2,1-4H3,(H,25,28)(H,24,26,27)
InChIKeyJKZNPWKLBOJDSO-UHFFFAOYSA-N
XLogP3.66
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.43
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 10552132
6-amino-5-methyl-N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]pyridine-3-carboxamide
CID 71544354
6-amino-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridyl]oxy]-phenyl]methylene]cyclohexyl]pyridine-3-carboxamide
CID 89462922
N-(3-phenoxyphenyl)-2-(pyridin-4-ylmethylamino)nicotinamide
CID 20773471
2-Amino-8-isopropyl-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7(8h)-one
CID 52949940
N-[(2S)-1-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]amino]-4-methyl-1-oxopentan-2-yl]pyridine-2-carboxamide
CID 57407347
2-(4-acetylpiperazin-1-yl)-4-[[(1R)-1-(6-ethoxy-5-fluoro-3-pyridinyl)ethyl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
CID 57658902
2-Amino-8-cyclobutyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59258852
2-Amino-8-cyclopropyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59259002
2-Amino-8-cyclopentyl-6-(6-methoxy-3-pyridinyl)-4-methylpyrido[2,3-d]pyrimidin-7-one
CID 59259019
2-((3-fluorobenzyl)oxy)-6-(5-fluoropyridin-2-yl)-7,8-dihydro-1,6-naphthyridin-5(6H)-one
CID 68008606
2-(1,1-difluoroethyl)-N-[5-(2-ethoxy-6-morpholin-4-ylpyridin-4-yl)-6-methylpyridin-3-yl]pyridine-4-carboxamide
CID 117609729

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide?
The IUPAC name of N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide (CID 67509480) is N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide is CCC(=O)Nc1cc(C(=O)NC(C)c2ccc(OCC(C)(F)F)nc2)cc(C)n1.
What is the InChIKey of N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide?
The InChIKey is JKZNPWKLBOJDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O3/c1-5-17(27)26-16-9-15(8-12(2)24-16)19(28)25-13(3)14-6-7-18(23-10-14)29-11-20(4,21)22/h6-10,13H,5,11H2,1-4H3,(H,25,28)(H,24,26,27).
What are the key properties of N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide?
N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide has a molecular weight of 406.43 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide is sourced from PubChem (CID 67509480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).