6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;3-[1-(3,4-difluorophenyl)ethoxy]propanamide

C21H24F2N4O2 — CID 156724035

IUPAC6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;3-[1-(3,4-difluorophenyl)ethoxy]propanamide
SMILESC=C(CC)Nc1ccc(C#N)cn1.CC(OCCC(N)=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO2.C10H11N3/c1-7(16-5-4-11(14)15)8-2-3-9(12)10(13)6-8;1-3-8(2)13-10-5-4-9(6-11)7-12-10/h2-3,6-7H,4-5H2,1H3,(H2,14,15);4-5,7H,2-3H2,1H3,(H,12,13)
InChIKeyDKVUZOOPVCKBRU-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.21
Rot. Bonds8

About 6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;3-[1-(3,4-difluorophenyl)ethoxy]propanamide

6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;3-[1-(3,4-difluorophenyl)ethoxy]propanamide (PubChem CID 156724035) has the molecular formula C21H24F2N4O2 and a molecular weight of 402.45 g/mol. Its IUPAC name is 6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;3-[1-(3,4-difluorophenyl)ethoxy]propanamide.

Molecular Properties

Compound Name6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;3-[1-(3,4-difluorophenyl)ethoxy]propanamide
PubChem CID156724035
Molecular FormulaC21H24F2N4O2
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC Name6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;3-[1-(3,4-difluorophenyl)ethoxy]propanamide
SMILESC=C(CC)Nc1ccc(C#N)cn1.CC(OCCC(N)=O)c1ccc(F)c(F)c1
InChIInChI=1S/C11H13F2NO2.C10H11N3/c1-7(16-5-4-11(14)15)8-2-3-9(12)10(13)6-8;1-3-8(2)13-10-5-4-9(6-11)7-12-10/h2-3,6-7H,4-5H2,1H3,(H2,14,15);4-5,7H,2-3H2,1H3,(H,12,13)
InChIKeyDKVUZOOPVCKBRU-UHFFFAOYSA-N
XLogP4.21
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;difluoromethane;3-[(3,4-difluorophenyl)methylamino]propanamide
CID 156723908
6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;3-(1-phenylethylsulfanyl)propanamide
CID 156724227
6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;2-[1-[5-(2,2,2-trifluoroethoxy)-3-pyridinyl]cyclobutyl]oxyacetamide
CID 156724315
2-[1-(2-bromo-5-methoxyphenyl)cyclopropyl]oxyacetamide;6-(but-1-en-2-ylamino)pyridine-3-carbonitrile
CID 156724020
N-(5-cyano-2-pyridinyl)-4-methylpentanamide
CID 55209976
N-(5-cyano-2-pyridinyl)-3-(2,4-difluorophenyl)butanamide
CID 122159677
propan-2-yl N-(5-cyano-2-pyridinyl)carbamate
CID 62353732
2-[(5-cyano-2-pyridinyl)amino]propanamide
CID 43402789
2-[1-(3,4-difluorophenyl)ethoxy]ethanamine
CID 82282338
3-(5-cyano-2-pyridinyl)-1,1-dimethylurea
CID 79153512
ethyl 3-[(5-cyano-2-pyridinyl)amino]butanoate
CID 133363432
3-chloro-N-(5-cyano-2-pyridinyl)-4-fluorobenzamide
CID 81485911

Frequently Asked Questions

What is the IUPAC name of 6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;3-[1-(3,4-difluorophenyl)ethoxy]propanamide?
The IUPAC name of 6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;3-[1-(3,4-difluorophenyl)ethoxy]propanamide (CID 156724035) is 6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;3-[1-(3,4-difluorophenyl)ethoxy]propanamide.
What is the SMILES notation for 6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;3-[1-(3,4-difluorophenyl)ethoxy]propanamide?
The canonical SMILES for 6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;3-[1-(3,4-difluorophenyl)ethoxy]propanamide is C=C(CC)Nc1ccc(C#N)cn1.CC(OCCC(N)=O)c1ccc(F)c(F)c1.
What is the InChIKey of 6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;3-[1-(3,4-difluorophenyl)ethoxy]propanamide?
The InChIKey is DKVUZOOPVCKBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2.C10H11N3/c1-7(16-5-4-11(14)15)8-2-3-9(12)10(13)6-8;1-3-8(2)13-10-5-4-9(6-11)7-12-10/h2-3,6-7H,4-5H2,1H3,(H2,14,15);4-5,7H,2-3H2,1H3,(H,12,13).
What are the key properties of 6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;3-[1-(3,4-difluorophenyl)ethoxy]propanamide?
6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;3-[1-(3,4-difluorophenyl)ethoxy]propanamide has a molecular weight of 402.45 g/mol, XLogP of 4.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(but-1-en-2-ylamino)pyridine-3-carbonitrile;3-[1-(3,4-difluorophenyl)ethoxy]propanamide is sourced from PubChem (CID 156724035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).