(E)-[(3Z)-3-(2-methyl-1,2-dihydropyrrol-3-ylidene)-4-piperidin-4-yl-2-pyridinylidene]methanamine

C16H22N4 — CID 137230007

IUPAC(E)-[(3Z)-3-(2-methyl-1,2-dihydropyrrol-3-ylidene)-4-piperidin-4-yl-2-pyridinylidene]methanamine
SMILESCC1NC=C/C1=c1\c(C2CCNCC2)ccn\c1=C\N
InChIInChI=1S/C16H22N4/c1-11-13(4-8-19-11)16-14(5-9-20-15(16)10-17)12-2-6-18-7-3-12/h4-5,8-12,18-19H,2-3,6-7,17H2,1H3/b15-10-,16-13-
InChIKeyZJVJBLWIDYEELY-YACBYWNISA-N
MW270.38 g/mol
LogP-0.10
Rot. Bonds1

About (E)-[(3Z)-3-(2-methyl-1,2-dihydropyrrol-3-ylidene)-4-piperidin-4-yl-2-pyridinylidene]methanamine

(E)-[(3Z)-3-(2-methyl-1,2-dihydropyrrol-3-ylidene)-4-piperidin-4-yl-2-pyridinylidene]methanamine (PubChem CID 137230007) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is (E)-[(3Z)-3-(2-methyl-1,2-dihydropyrrol-3-ylidene)-4-piperidin-4-yl-2-pyridinylidene]methanamine.

Molecular Properties

Compound Name(E)-[(3Z)-3-(2-methyl-1,2-dihydropyrrol-3-ylidene)-4-piperidin-4-yl-2-pyridinylidene]methanamine
PubChem CID137230007
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name(E)-[(3Z)-3-(2-methyl-1,2-dihydropyrrol-3-ylidene)-4-piperidin-4-yl-2-pyridinylidene]methanamine
SMILESCC1NC=C/C1=c1\c(C2CCNCC2)ccn\c1=C\N
InChIInChI=1S/C16H22N4/c1-11-13(4-8-19-11)16-14(5-9-20-15(16)10-17)12-2-6-18-7-3-12/h4-5,8-12,18-19H,2-3,6-7,17H2,1H3/b15-10-,16-13-
InChIKeyZJVJBLWIDYEELY-YACBYWNISA-N
XLogP-0.10
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-[(3Z)-3-(2-methyl-1,2-dihydropyrrol-3-ylidene)-4-piperidin-4-yl-2-pyridinylidene]methanamine?
The IUPAC name of (E)-[(3Z)-3-(2-methyl-1,2-dihydropyrrol-3-ylidene)-4-piperidin-4-yl-2-pyridinylidene]methanamine (CID 137230007) is (E)-[(3Z)-3-(2-methyl-1,2-dihydropyrrol-3-ylidene)-4-piperidin-4-yl-2-pyridinylidene]methanamine.
What is the SMILES notation for (E)-[(3Z)-3-(2-methyl-1,2-dihydropyrrol-3-ylidene)-4-piperidin-4-yl-2-pyridinylidene]methanamine?
The canonical SMILES for (E)-[(3Z)-3-(2-methyl-1,2-dihydropyrrol-3-ylidene)-4-piperidin-4-yl-2-pyridinylidene]methanamine is CC1NC=C/C1=c1\c(C2CCNCC2)ccn\c1=C\N.
What is the InChIKey of (E)-[(3Z)-3-(2-methyl-1,2-dihydropyrrol-3-ylidene)-4-piperidin-4-yl-2-pyridinylidene]methanamine?
The InChIKey is ZJVJBLWIDYEELY-YACBYWNISA-N. The full InChI is InChI=1S/C16H22N4/c1-11-13(4-8-19-11)16-14(5-9-20-15(16)10-17)12-2-6-18-7-3-12/h4-5,8-12,18-19H,2-3,6-7,17H2,1H3/b15-10-,16-13-.
What are the key properties of (E)-[(3Z)-3-(2-methyl-1,2-dihydropyrrol-3-ylidene)-4-piperidin-4-yl-2-pyridinylidene]methanamine?
(E)-[(3Z)-3-(2-methyl-1,2-dihydropyrrol-3-ylidene)-4-piperidin-4-yl-2-pyridinylidene]methanamine has a molecular weight of 270.38 g/mol, XLogP of -0.10, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[(3Z)-3-(2-methyl-1,2-dihydropyrrol-3-ylidene)-4-piperidin-4-yl-2-pyridinylidene]methanamine is sourced from PubChem (CID 137230007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).