3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide;hydrochloride

C24H30ClN7O3S — CID 10280106

IUPAC3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide;hydrochloride
SMILESCN(C)Cc1ccncc1NC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cnc1N.Cl
InChIInChI=1S/C24H29N7O3S.ClH/c1-30(2)16-18-10-11-26-14-20(18)29-24(32)22-23(25)27-15-21(28-22)17-6-8-19(9-7-17)35(33,34)31-12-4-3-5-13-31;/h6-11,14-15H,3-5,12-13,16H2,1-2H3,(H2,25,27)(H,29,32);1H
InChIKeyHTGVQZOJHGNERP-UHFFFAOYSA-N
MW532.07 g/mol
LogP3.03
Rot. Bonds7

About 3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide;hydrochloride

3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide;hydrochloride (PubChem CID 10280106) has the molecular formula C24H30ClN7O3S and a molecular weight of 532.07 g/mol. Its IUPAC name is 3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide;hydrochloride
PubChem CID10280106
Molecular FormulaC24H30ClN7O3S
Molecular Weight532.07 g/mol
Exact Mass531.18
IUPAC Name3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide;hydrochloride
SMILESCN(C)Cc1ccncc1NC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cnc1N.Cl
InChIInChI=1S/C24H29N7O3S.ClH/c1-30(2)16-18-10-11-26-14-20(18)29-24(32)22-23(25)27-15-21(28-22)17-6-8-19(9-7-17)35(33,34)31-12-4-3-5-13-31;/h6-11,14-15H,3-5,12-13,16H2,1-2H3,(H2,25,27)(H,29,32);1H
InChIKeyHTGVQZOJHGNERP-UHFFFAOYSA-N
XLogP3.03
TPSA134.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.07
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-N-[3-(4-methylpiperazin-1-yl)propyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
CID 10345359
3-amino-6-(4-morpholin-4-ylsulfonylphenyl)-N-pyridin-3-ylpyrazine-2-carboxamide
CID 10297008
3-amino-6-(3-chloro-4-fluorophenyl)-N-[4-(2-pyrrolidin-1-ylethyl)-3-pyridinyl]pyrazine-2-carboxamide;hydrochloride
CID 10227489
3-amino-N-[(2-nitrophenyl)methyl]-6-(4-pyrrolidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide
CID 10480392
3-amino-N-(cyanomethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide;dihydrochloride
CID 87503599
3-amino-N-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide;hydrochloride
CID 10367480
3-amino-N-(2-methoxyethyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
CID 10367481
3-amino-N-(3-cyanophenyl)-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide;hydrochloride
CID 10052171
4-(azepan-1-ylsulfonyl)-N-[3-[[4-(azepan-1-ylsulfonyl)benzoyl]amino]-4-pyridinyl]benzamide
CID 3404667
3-amino-6-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
CID 10346194
3-amino-N-cyclohexyl-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 52937662
3-amino-6-[4-(2-aminoethyl)phenyl]-N-[4-(3-carbamoylazetidin-1-yl)-3-pyridinyl]pyrazine-2-carboxamide
CID 167178690

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide;hydrochloride (CID 10280106) is 3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide;hydrochloride is CN(C)Cc1ccncc1NC(=O)c1nc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cnc1N.Cl.
What is the InChIKey of 3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide;hydrochloride?
The InChIKey is HTGVQZOJHGNERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3S.ClH/c1-30(2)16-18-10-11-26-14-20(18)29-24(32)22-23(25)27-15-21(28-22)17-6-8-19(9-7-17)35(33,34)31-12-4-3-5-13-31;/h6-11,14-15H,3-5,12-13,16H2,1-2H3,(H2,25,27)(H,29,32);1H.
What are the key properties of 3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide;hydrochloride?
3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide;hydrochloride has a molecular weight of 532.07 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[(dimethylamino)methyl]-3-pyridinyl]-6-(4-piperidin-1-ylsulfonylphenyl)pyrazine-2-carboxamide;hydrochloride is sourced from PubChem (CID 10280106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).