3-amino-5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,6-dimethylpyrazine-2-carboxamide

C25H36ClN7O — CID 143280991

IUPAC3-amino-5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,6-dimethylpyrazine-2-carboxamide
SMILESCCC1CN(c2nc(N)c(C(=O)NC)nc2C)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H36ClN7O/c1-4-20-16-32(24-17(2)29-22(23(27)30-24)25(34)28-3)13-14-33(20)21-9-11-31(12-10-21)15-18-5-7-19(26)8-6-18/h5-8,20-21H,4,9-16H2,1-3H3,(H2,27,30)(H,28,34)
InChIKeyCFNGRKNSPSEWSC-UHFFFAOYSA-N
MW486.06 g/mol
LogP2.95
Rot. Bonds6

About 3-amino-5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,6-dimethylpyrazine-2-carboxamide

3-amino-5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,6-dimethylpyrazine-2-carboxamide (PubChem CID 143280991) has the molecular formula C25H36ClN7O and a molecular weight of 486.06 g/mol. Its IUPAC name is 3-amino-5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,6-dimethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,6-dimethylpyrazine-2-carboxamide
PubChem CID143280991
Molecular FormulaC25H36ClN7O
Molecular Weight486.06 g/mol
Exact Mass485.27
IUPAC Name3-amino-5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,6-dimethylpyrazine-2-carboxamide
SMILESCCC1CN(c2nc(N)c(C(=O)NC)nc2C)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H36ClN7O/c1-4-20-16-32(24-17(2)29-22(23(27)30-24)25(34)28-3)13-14-33(20)21-9-11-31(12-10-21)15-18-5-7-19(26)8-6-18/h5-8,20-21H,4,9-16H2,1-3H3,(H2,27,30)(H,28,34)
InChIKeyCFNGRKNSPSEWSC-UHFFFAOYSA-N
XLogP2.95
TPSA90.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.06
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[[3-amino-6-chloro-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]pyrazine-2-carbonyl]amino]-3-methylthiourea
CID 58830182
3-amino-6-chloro-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-[(3R)-2-oxooxolan-3-yl]pyrazine-2-carboxamide
CID 11996050
3-amino-6-chloro-5-[(3S)-4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-[(3S)-2-oxooxolan-3-yl]pyrazine-2-carboxamide
CID 58830232
methyl 2-[[3-amino-6-chloro-5-[(3S)-3-ethyl-4-[1-[(4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]pyrazine-2-carbonyl]amino]acetate
CID 88978264
3-amino-6-chloro-5-[(3S)-4-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide
CID 88976353
3-amino-6-chloro-N-(2-cyanoethyl)-5-[(3S)-3-ethyl-4-[1-[(4-ethynylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]pyrazine-2-carboxamide
CID 88978274
3-amino-5-[(3S)-4-[1-[(4-aminophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-chloro-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]pyrazine-2-carboxamide
CID 88983277
3-amino-6-chloro-5-[(3S)-3-ethyl-4-[1-[3-[(4-methylbenzoyl)amino]propyl]piperidin-4-yl]piperazin-1-yl]-N-methylpyrazine-2-carboxamide
CID 88978161
3-amino-6-chloro-5-[(3S)-4-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]pyrazine-2-carboxamide
CID 58830220
3-amino-5-[4-[1-[[2-(2-aminoethyl)-4-chlorophenyl]methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-chloropyrazine-2-carboxamide
CID 73173095
3-amino-6-chloro-5-[(3S)-3-ethyl-4-[1-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]piperazin-1-yl]-N-methylpyrazine-2-carboxamide
CID 88978299
methyl 2-[2-[[4-[(2S)-4-(6-amino-5-carbamoyl-3-chloropyrazin-2-yl)-2-ethylpiperazin-1-yl]piperidin-1-yl]methyl]-5-chlorophenyl]acetate
CID 58830393

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,6-dimethylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,6-dimethylpyrazine-2-carboxamide (CID 143280991) is 3-amino-5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,6-dimethylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,6-dimethylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,6-dimethylpyrazine-2-carboxamide is CCC1CN(c2nc(N)c(C(=O)NC)nc2C)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-amino-5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,6-dimethylpyrazine-2-carboxamide?
The InChIKey is CFNGRKNSPSEWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36ClN7O/c1-4-20-16-32(24-17(2)29-22(23(27)30-24)25(34)28-3)13-14-33(20)21-9-11-31(12-10-21)15-18-5-7-19(26)8-6-18/h5-8,20-21H,4,9-16H2,1-3H3,(H2,27,30)(H,28,34).
What are the key properties of 3-amino-5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,6-dimethylpyrazine-2-carboxamide?
3-amino-5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,6-dimethylpyrazine-2-carboxamide has a molecular weight of 486.06 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethylpiperazin-1-yl]-N,6-dimethylpyrazine-2-carboxamide is sourced from PubChem (CID 143280991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).