[(6Z)-1-ethenyl-6-ethylidene-4-methyl-2-pyridinyl]-[3-[[(3R)-3-pyrrolidin-1-ylpent-1-en-2-yl]amino]piperidin-1-yl]methanone

C25H38N4O — CID 171628041

IUPAC[(6Z)-1-ethenyl-6-ethylidene-4-methyl-2-pyridinyl]-[3-[[(3R)-3-pyrrolidin-1-ylpent-1-en-2-yl]amino]piperidin-1-yl]methanone
SMILESC=CN1C(C(=O)N2CCCC(NC(=C)[C@@H](CC)N3CCCC3)C2)=CC(C)=C/C1=C/C
InChIInChI=1S/C25H38N4O/c1-6-22-16-19(4)17-24(29(22)8-3)25(30)28-15-11-12-21(18-28)26-20(5)23(7-2)27-13-9-10-14-27/h6,8,16-17,21,23,26H,3,5,7,9-15,18H2,1-2,4H3/b22-6-/t21?,23-/m1/s1
InChIKeyXRLDFUJOKVYMMT-HYOKUVHNSA-N
MW410.61 g/mol
LogP4.15
Rot. Bonds7

About [(6Z)-1-ethenyl-6-ethylidene-4-methyl-2-pyridinyl]-[3-[[(3R)-3-pyrrolidin-1-ylpent-1-en-2-yl]amino]piperidin-1-yl]methanone

[(6Z)-1-ethenyl-6-ethylidene-4-methyl-2-pyridinyl]-[3-[[(3R)-3-pyrrolidin-1-ylpent-1-en-2-yl]amino]piperidin-1-yl]methanone (PubChem CID 171628041) has the molecular formula C25H38N4O and a molecular weight of 410.61 g/mol. Its IUPAC name is [(6Z)-1-ethenyl-6-ethylidene-4-methyl-2-pyridinyl]-[3-[[(3R)-3-pyrrolidin-1-ylpent-1-en-2-yl]amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(6Z)-1-ethenyl-6-ethylidene-4-methyl-2-pyridinyl]-[3-[[(3R)-3-pyrrolidin-1-ylpent-1-en-2-yl]amino]piperidin-1-yl]methanone
PubChem CID171628041
Molecular FormulaC25H38N4O
Molecular Weight410.61 g/mol
Exact Mass410.30
IUPAC Name[(6Z)-1-ethenyl-6-ethylidene-4-methyl-2-pyridinyl]-[3-[[(3R)-3-pyrrolidin-1-ylpent-1-en-2-yl]amino]piperidin-1-yl]methanone
SMILESC=CN1C(C(=O)N2CCCC(NC(=C)[C@@H](CC)N3CCCC3)C2)=CC(C)=C/C1=C/C
InChIInChI=1S/C25H38N4O/c1-6-22-16-19(4)17-24(29(22)8-3)25(30)28-15-11-12-21(18-28)26-20(5)23(7-2)27-13-9-10-14-27/h6,8,16-17,21,23,26H,3,5,7,9-15,18H2,1-2,4H3/b22-6-/t21?,23-/m1/s1
InChIKeyXRLDFUJOKVYMMT-HYOKUVHNSA-N
XLogP4.15
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.61
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(6Z)-1-ethenyl-6-ethylidene-4-methyl-2-pyridinyl]-[3-[[(3R)-3-pyrrolidin-1-ylpent-1-en-2-yl]amino]piperidin-1-yl]methanone?
The IUPAC name of [(6Z)-1-ethenyl-6-ethylidene-4-methyl-2-pyridinyl]-[3-[[(3R)-3-pyrrolidin-1-ylpent-1-en-2-yl]amino]piperidin-1-yl]methanone (CID 171628041) is [(6Z)-1-ethenyl-6-ethylidene-4-methyl-2-pyridinyl]-[3-[[(3R)-3-pyrrolidin-1-ylpent-1-en-2-yl]amino]piperidin-1-yl]methanone.
What is the SMILES notation for [(6Z)-1-ethenyl-6-ethylidene-4-methyl-2-pyridinyl]-[3-[[(3R)-3-pyrrolidin-1-ylpent-1-en-2-yl]amino]piperidin-1-yl]methanone?
The canonical SMILES for [(6Z)-1-ethenyl-6-ethylidene-4-methyl-2-pyridinyl]-[3-[[(3R)-3-pyrrolidin-1-ylpent-1-en-2-yl]amino]piperidin-1-yl]methanone is C=CN1C(C(=O)N2CCCC(NC(=C)[C@@H](CC)N3CCCC3)C2)=CC(C)=C/C1=C/C.
What is the InChIKey of [(6Z)-1-ethenyl-6-ethylidene-4-methyl-2-pyridinyl]-[3-[[(3R)-3-pyrrolidin-1-ylpent-1-en-2-yl]amino]piperidin-1-yl]methanone?
The InChIKey is XRLDFUJOKVYMMT-HYOKUVHNSA-N. The full InChI is InChI=1S/C25H38N4O/c1-6-22-16-19(4)17-24(29(22)8-3)25(30)28-15-11-12-21(18-28)26-20(5)23(7-2)27-13-9-10-14-27/h6,8,16-17,21,23,26H,3,5,7,9-15,18H2,1-2,4H3/b22-6-/t21?,23-/m1/s1.
What are the key properties of [(6Z)-1-ethenyl-6-ethylidene-4-methyl-2-pyridinyl]-[3-[[(3R)-3-pyrrolidin-1-ylpent-1-en-2-yl]amino]piperidin-1-yl]methanone?
[(6Z)-1-ethenyl-6-ethylidene-4-methyl-2-pyridinyl]-[3-[[(3R)-3-pyrrolidin-1-ylpent-1-en-2-yl]amino]piperidin-1-yl]methanone has a molecular weight of 410.61 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(6Z)-1-ethenyl-6-ethylidene-4-methyl-2-pyridinyl]-[3-[[(3R)-3-pyrrolidin-1-ylpent-1-en-2-yl]amino]piperidin-1-yl]methanone is sourced from PubChem (CID 171628041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).