6-[[1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]cyclopropyl]methylamino]pyridine-2-carbonitrile

C21H27N5 — CID 139471180

IUPAC6-[[1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]cyclopropyl]methylamino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NCC2(N3CCN(CC4=CCCC=C4)CC3)CC2)n1
InChIInChI=1S/C21H27N5/c22-15-19-7-4-8-20(24-19)23-17-21(9-10-21)26-13-11-25(12-14-26)16-18-5-2-1-3-6-18/h2,4-8H,1,3,9-14,16-17H2,(H,23,24)
InChIKeyZSBAQWPIZRJBQF-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.79
Rot. Bonds6

About 6-[[1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]cyclopropyl]methylamino]pyridine-2-carbonitrile

6-[[1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]cyclopropyl]methylamino]pyridine-2-carbonitrile (PubChem CID 139471180) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is 6-[[1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]cyclopropyl]methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]cyclopropyl]methylamino]pyridine-2-carbonitrile
PubChem CID139471180
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC Name6-[[1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]cyclopropyl]methylamino]pyridine-2-carbonitrile
SMILESN#Cc1cccc(NCC2(N3CCN(CC4=CCCC=C4)CC3)CC2)n1
InChIInChI=1S/C21H27N5/c22-15-19-7-4-8-20(24-19)23-17-21(9-10-21)26-13-11-25(12-14-26)16-18-5-2-1-3-6-18/h2,4-8H,1,3,9-14,16-17H2,(H,23,24)
InChIKeyZSBAQWPIZRJBQF-UHFFFAOYSA-N
XLogP2.79
TPSA55.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]cyclopropyl]methylamino]pyridine-2-carbonitrile with MolForge

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Related Compounds

6-[[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]methylamino]pyridine-2-carbonitrile
CID 126539207
6-[(1-hydroxycyclopentyl)methylamino]pyridine-2-carbonitrile
CID 65110570
6-[(1-ethylcyclopropyl)methylamino]pyridine-2-carbonitrile
CID 103736862
N-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methyl]-6-(trifluoromethyl)pyridin-2-amine
CID 126539749
N-(6-cyano-2-pyridinyl)-2-methyl-3-[4-[4-(2-methylpropyl)piperazin-1-yl]oxan-4-yl]propanamide
CID 126507581
1-(cyclohexa-1,5-dien-1-ylmethyl)-4-methylpiperazine;methane
CID 143054399
6-(3-piperazin-1-ylpropylamino)pyridine-2-carbonitrile
CID 64589579
6-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-2-carbonitrile
CID 62406600
6-[[7-(furan-3-ylmethyl)-1-oxa-7-azaspiro[4.4]nonan-3-yl]amino]pyridine-2-carbonitrile
CID 131640132
6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile
CID 112692141
2-[[4-(4-benzylpiperazin-1-yl)oxan-4-yl]methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 126539757
6-(3-cyanopropylamino)pyridine-2-carbonitrile
CID 130778540

Frequently Asked Questions

What is the IUPAC name of 6-[[1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]cyclopropyl]methylamino]pyridine-2-carbonitrile?
The IUPAC name of 6-[[1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]cyclopropyl]methylamino]pyridine-2-carbonitrile (CID 139471180) is 6-[[1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]cyclopropyl]methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]cyclopropyl]methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]cyclopropyl]methylamino]pyridine-2-carbonitrile is N#Cc1cccc(NCC2(N3CCN(CC4=CCCC=C4)CC3)CC2)n1.
What is the InChIKey of 6-[[1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]cyclopropyl]methylamino]pyridine-2-carbonitrile?
The InChIKey is ZSBAQWPIZRJBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c22-15-19-7-4-8-20(24-19)23-17-21(9-10-21)26-13-11-25(12-14-26)16-18-5-2-1-3-6-18/h2,4-8H,1,3,9-14,16-17H2,(H,23,24).
What are the key properties of 6-[[1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]cyclopropyl]methylamino]pyridine-2-carbonitrile?
6-[[1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]cyclopropyl]methylamino]pyridine-2-carbonitrile has a molecular weight of 349.48 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]cyclopropyl]methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 139471180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).