3-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]cyclohexane-1-carboxamide

C18H29N5O — CID 119901247

IUPAC3-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]cyclohexane-1-carboxamide
SMILESCN1CCN(c2ccc(CNC(=O)C3CCCC(N)C3)cn2)CC1
InChIInChI=1S/C18H29N5O/c1-22-7-9-23(10-8-22)17-6-5-14(12-20-17)13-21-18(24)15-3-2-4-16(19)11-15/h5-6,12,15-16H,2-4,7-11,13,19H2,1H3,(H,21,24)
InChIKeyRHKYQVNZLKDDKF-UHFFFAOYSA-N
MW331.46 g/mol
LogP0.97
Rot. Bonds4

About 3-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]cyclohexane-1-carboxamide

3-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]cyclohexane-1-carboxamide (PubChem CID 119901247) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is 3-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]cyclohexane-1-carboxamide
PubChem CID119901247
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC Name3-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]cyclohexane-1-carboxamide
SMILESCN1CCN(c2ccc(CNC(=O)C3CCCC(N)C3)cn2)CC1
InChIInChI=1S/C18H29N5O/c1-22-7-9-23(10-8-22)17-6-5-14(12-20-17)13-21-18(24)15-3-2-4-16(19)11-15/h5-6,12,15-16H,2-4,7-11,13,19H2,1H3,(H,21,24)
InChIKeyRHKYQVNZLKDDKF-UHFFFAOYSA-N
XLogP0.97
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]cyclopentane-1-carboxamide
CID 119846498
3-amino-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]cyclohexane-1-carboxamide
CID 119846574
(2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide
CID 120632054
(2S,4S)-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120632053
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 38528657
3-amino-2-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]butanamide;trihydrochloride
CID 120504383
3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119846500
5-[[(3-aminocyclopentanecarbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099375
2-cyclopentyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide
CID 87036049
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 119399620
3-amino-N-[(4-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 55146737
3-amino-N-[(4-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 63041803

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]cyclohexane-1-carboxamide (CID 119901247) is 3-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]cyclohexane-1-carboxamide is CN1CCN(c2ccc(CNC(=O)C3CCCC(N)C3)cn2)CC1.
What is the InChIKey of 3-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]cyclohexane-1-carboxamide?
The InChIKey is RHKYQVNZLKDDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O/c1-22-7-9-23(10-8-22)17-6-5-14(12-20-17)13-21-18(24)15-3-2-4-16(19)11-15/h5-6,12,15-16H,2-4,7-11,13,19H2,1H3,(H,21,24).
What are the key properties of 3-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]cyclohexane-1-carboxamide?
3-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]cyclohexane-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119901247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).