(3R)-N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-3-amine

C17H26N4 — CID 166548813

IUPAC(3R)-N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-3-amine
SMILESC=C(/C=c1/c(C)nnc(C)/c1=C/C)N(C)[C@@H]1CCCNC1
InChIInChI=1S/C17H26N4/c1-6-16-13(3)19-20-14(4)17(16)10-12(2)21(5)15-8-7-9-18-11-15/h6,10,15,18H,2,7-9,11H2,1,3-5H3/b16-6-,17-10-/t15-/m1/s1
InChIKeyDVPWQRUCIDWQKO-IIWTZHGNSA-N
MW286.42 g/mol
LogP0.87
Rot. Bonds3

About (3R)-N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-3-amine

(3R)-N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-3-amine (PubChem CID 166548813) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is (3R)-N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-3-amine
PubChem CID166548813
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name(3R)-N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-3-amine
SMILESC=C(/C=c1/c(C)nnc(C)/c1=C/C)N(C)[C@@H]1CCCNC1
InChIInChI=1S/C17H26N4/c1-6-16-13(3)19-20-14(4)17(16)10-12(2)21(5)15-8-7-9-18-11-15/h6,10,15,18H,2,7-9,11H2,1,3-5H3/b16-6-,17-10-/t15-/m1/s1
InChIKeyDVPWQRUCIDWQKO-IIWTZHGNSA-N
XLogP0.87
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[(4E,5E)-5-ethylidene-6-methyl-4-[2-[methyl(piperidin-3-yl)amino]prop-2-enylidene]pyridazin-3-yl]amino]methyl]-2-methylbenzonitrile
CID 166548828
N-methyl-N-piperidin-3-ylprop-2-enamide
CID 63643523
N-methyl-N-[(3S)-piperidin-3-yl]prop-2-enamide
CID 178118916
5-fluoro-N,2-dimethyl-N-piperidin-3-ylbenzamide
CID 55228435
N-methyl-N-[(3S)-piperidin-3-yl]propanamide
CID 93313714
N,6-dimethyl-N-piperidin-3-ylpyridazin-3-amine
CID 63643935
N-methyl-N-piperidin-3-ylhexa-2,4-dienamide
CID 77003180
3-bromo-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 81476273
3-fluoro-N,4-dimethyl-N-piperidin-3-ylbenzamide
CID 60807217
N,3,5-trimethyl-N-piperidin-3-yl-1H-pyrazole-4-sulfonamide
CID 60807200
N,4-dimethyl-N-piperidin-3-ylthiophene-3-carboxamide
CID 79808319
1,7-dimethyl-3-[methyl(piperidin-3-yl)amino]-2,3-dihydro-1H-inden-4-ol
CID 63644211

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-3-amine?
The IUPAC name of (3R)-N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-3-amine (CID 166548813) is (3R)-N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-3-amine.
What is the SMILES notation for (3R)-N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-3-amine?
The canonical SMILES for (3R)-N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-3-amine is C=C(/C=c1/c(C)nnc(C)/c1=C/C)N(C)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-3-amine?
The InChIKey is DVPWQRUCIDWQKO-IIWTZHGNSA-N. The full InChI is InChI=1S/C17H26N4/c1-6-16-13(3)19-20-14(4)17(16)10-12(2)21(5)15-8-7-9-18-11-15/h6,10,15,18H,2,7-9,11H2,1,3-5H3/b16-6-,17-10-/t15-/m1/s1.
What are the key properties of (3R)-N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-3-amine?
(3R)-N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-3-amine has a molecular weight of 286.42 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(3E)-3-[(5E)-5-ethylidene-3,6-dimethylpyridazin-4-ylidene]prop-1-en-2-yl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 166548813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).