4-[(Z)-but-1-enyl]-3-(4-chlorophenyl)-5-methylpyridine-2,6-diamine

C16H18ClN3 — CID 143290185

IUPAC4-[(Z)-but-1-enyl]-3-(4-chlorophenyl)-5-methylpyridine-2,6-diamine
SMILESCC/C=C\c1c(C)c(N)nc(N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3/c1-3-4-5-13-10(2)15(18)20-16(19)14(13)11-6-8-12(17)9-7-11/h4-9H,3H2,1-2H3,(H4,18,19,20)/b5-4-
InChIKeyFVUYCCHBTDMAOQ-PLNGDYQASA-N
MW287.79 g/mol
LogP4.30
Rot. Bonds3

About 4-[(Z)-but-1-enyl]-3-(4-chlorophenyl)-5-methylpyridine-2,6-diamine

4-[(Z)-but-1-enyl]-3-(4-chlorophenyl)-5-methylpyridine-2,6-diamine (PubChem CID 143290185) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 4-[(Z)-but-1-enyl]-3-(4-chlorophenyl)-5-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name4-[(Z)-but-1-enyl]-3-(4-chlorophenyl)-5-methylpyridine-2,6-diamine
PubChem CID143290185
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name4-[(Z)-but-1-enyl]-3-(4-chlorophenyl)-5-methylpyridine-2,6-diamine
SMILESCC/C=C\c1c(C)c(N)nc(N)c1-c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3/c1-3-4-5-13-10(2)15(18)20-16(19)14(13)11-6-8-12(17)9-7-11/h4-9H,3H2,1-2H3,(H4,18,19,20)/b5-4-
InChIKeyFVUYCCHBTDMAOQ-PLNGDYQASA-N
XLogP4.30
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-7-methylisoquinoline-1,3-diamine
CID 143290184
5-(4-chlorophenyl)-4,6-diethylpyrimidin-2-amine
CID 25099412
5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine;N-methylmethanamine
CID 168990564
5-butyl-4-(4-chlorophenyl)-1H-pyrazol-3-amine
CID 43157539
5-(4-chlorophenyl)-6-ethyl-2-ethylsulfanylpyrimidin-4-amine
CID 24670027
5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine
CID 13046106
3-(4-chloro-2,6-dimethylphenyl)prop-2-ene-1-thiol
CID 169454962
4-aminobenzenesulfonamide;5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 70020180
[4-(4-chlorophenyl)-5-[(E)-pent-1-enyl]-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 22005039
2-but-1-enyl-1,3,4,5-tetramethylbenzene
CID 173045853
(1S)-2-[4-amino-5-(4-chlorophenyl)-6-ethylpyrimidin-2-yl]sulfanyl-1-phenylethanol
CID 25331771
4-(4-chlorophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine
CID 104519635

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-1-enyl]-3-(4-chlorophenyl)-5-methylpyridine-2,6-diamine?
The IUPAC name of 4-[(Z)-but-1-enyl]-3-(4-chlorophenyl)-5-methylpyridine-2,6-diamine (CID 143290185) is 4-[(Z)-but-1-enyl]-3-(4-chlorophenyl)-5-methylpyridine-2,6-diamine.
What is the SMILES notation for 4-[(Z)-but-1-enyl]-3-(4-chlorophenyl)-5-methylpyridine-2,6-diamine?
The canonical SMILES for 4-[(Z)-but-1-enyl]-3-(4-chlorophenyl)-5-methylpyridine-2,6-diamine is CC/C=C\c1c(C)c(N)nc(N)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[(Z)-but-1-enyl]-3-(4-chlorophenyl)-5-methylpyridine-2,6-diamine?
The InChIKey is FVUYCCHBTDMAOQ-PLNGDYQASA-N. The full InChI is InChI=1S/C16H18ClN3/c1-3-4-5-13-10(2)15(18)20-16(19)14(13)11-6-8-12(17)9-7-11/h4-9H,3H2,1-2H3,(H4,18,19,20)/b5-4-.
What are the key properties of 4-[(Z)-but-1-enyl]-3-(4-chlorophenyl)-5-methylpyridine-2,6-diamine?
4-[(Z)-but-1-enyl]-3-(4-chlorophenyl)-5-methylpyridine-2,6-diamine has a molecular weight of 287.79 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-1-enyl]-3-(4-chlorophenyl)-5-methylpyridine-2,6-diamine is sourced from PubChem (CID 143290185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).