1-[4-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-2-[(Z)-2-aminoethenyl]-3-methylpyrrol-1-yl]ethanone

C22H33N5O2 — CID 143450200

IUPAC1-[4-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-2-[(Z)-2-aminoethenyl]-3-methylpyrrol-1-yl]ethanone
SMILESCCCN(CCC)c1cc(N)nc(OCCc2cn(C(C)=O)c(/C=C\N)c2C)c1
InChIInChI=1S/C22H33N5O2/c1-5-10-26(11-6-2)19-13-21(24)25-22(14-19)29-12-8-18-15-27(17(4)28)20(7-9-23)16(18)3/h7,9,13-15H,5-6,8,10-12,23H2,1-4H3,(H2,24,25)/b9-7-
InChIKeyJJZCPWGVGAUBGV-CLFYSBASSA-N
MW399.54 g/mol
LogP3.61
Rot. Bonds10

About 1-[4-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-2-[(Z)-2-aminoethenyl]-3-methylpyrrol-1-yl]ethanone

1-[4-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-2-[(Z)-2-aminoethenyl]-3-methylpyrrol-1-yl]ethanone (PubChem CID 143450200) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-[4-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-2-[(Z)-2-aminoethenyl]-3-methylpyrrol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-2-[(Z)-2-aminoethenyl]-3-methylpyrrol-1-yl]ethanone
PubChem CID143450200
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name1-[4-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-2-[(Z)-2-aminoethenyl]-3-methylpyrrol-1-yl]ethanone
SMILESCCCN(CCC)c1cc(N)nc(OCCc2cn(C(C)=O)c(/C=C\N)c2C)c1
InChIInChI=1S/C22H33N5O2/c1-5-10-26(11-6-2)19-13-21(24)25-22(14-19)29-12-8-18-15-27(17(4)28)20(7-9-23)16(18)3/h7,9,13-15H,5-6,8,10-12,23H2,1-4H3,(H2,24,25)/b9-7-
InChIKeyJJZCPWGVGAUBGV-CLFYSBASSA-N
XLogP3.61
TPSA99.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethane;6-[2-(2-methyl-1H-imidazol-5-yl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143450300
6-ethoxy-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143340794
2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl morpholine-4-carboxylate
CID 143341161
6-[2-(3,4-dimethoxyphenyl)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143450233
ethane;6-[2-(2-methoxyethoxy)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143846971
1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]pyrrolidine-2,5-dione
CID 143341116
4-N,4-N-dipropyl-6-(2-pyridin-2-yloxyethoxy)pyridine-2,4-diamine;ethane
CID 143341149
1-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-3-phenylurea
CID 143341072
4-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]-N-cyclohexylbutanamide
CID 143340832
6-[2-(cyclohexylideneamino)ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341126
ethane;6-[2-[(5-propoxy-2-pyridinyl)oxy]ethoxy]-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143341509
ethane;molecular hydrogen;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143340801

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-2-[(Z)-2-aminoethenyl]-3-methylpyrrol-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-2-[(Z)-2-aminoethenyl]-3-methylpyrrol-1-yl]ethanone (CID 143450200) is 1-[4-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-2-[(Z)-2-aminoethenyl]-3-methylpyrrol-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-2-[(Z)-2-aminoethenyl]-3-methylpyrrol-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-2-[(Z)-2-aminoethenyl]-3-methylpyrrol-1-yl]ethanone is CCCN(CCC)c1cc(N)nc(OCCc2cn(C(C)=O)c(/C=C\N)c2C)c1.
What is the InChIKey of 1-[4-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-2-[(Z)-2-aminoethenyl]-3-methylpyrrol-1-yl]ethanone?
The InChIKey is JJZCPWGVGAUBGV-CLFYSBASSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-5-10-26(11-6-2)19-13-21(24)25-22(14-19)29-12-8-18-15-27(17(4)28)20(7-9-23)16(18)3/h7,9,13-15H,5-6,8,10-12,23H2,1-4H3,(H2,24,25)/b9-7-.
What are the key properties of 1-[4-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-2-[(Z)-2-aminoethenyl]-3-methylpyrrol-1-yl]ethanone?
1-[4-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-2-[(Z)-2-aminoethenyl]-3-methylpyrrol-1-yl]ethanone has a molecular weight of 399.54 g/mol, XLogP of 3.61, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[[6-amino-4-(dipropylamino)-2-pyridinyl]oxy]ethyl]-2-[(Z)-2-aminoethenyl]-3-methylpyrrol-1-yl]ethanone is sourced from PubChem (CID 143450200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).