N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-propan-2-ylsulfonylpiperidine-3-carboxamide

C24H33ClN6O4S — CID 67033474

IUPACN-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-propan-2-ylsulfonylpiperidine-3-carboxamide
SMILESCC(C)S(=O)(=O)N1CCCC(C(=O)Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(Cl)cn2)C1
InChIInChI=1S/C24H33ClN6O4S/c1-16(2)36(33,34)31-7-3-4-18(15-31)24(32)30-22-10-19(20(25)12-28-22)21-13-26-14-23(29-21)27-11-17-5-8-35-9-6-17/h10,12-14,16-18H,3-9,11,15H2,1-2H3,(H,27,29)(H,28,30,32)
InChIKeyDTEOIPWRZPEJMD-UHFFFAOYSA-N
MW537.09 g/mol
LogP3.42
Rot. Bonds8

About N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-propan-2-ylsulfonylpiperidine-3-carboxamide

N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-propan-2-ylsulfonylpiperidine-3-carboxamide (PubChem CID 67033474) has the molecular formula C24H33ClN6O4S and a molecular weight of 537.09 g/mol. Its IUPAC name is N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-propan-2-ylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-propan-2-ylsulfonylpiperidine-3-carboxamide
PubChem CID67033474
Molecular FormulaC24H33ClN6O4S
Molecular Weight537.09 g/mol
Exact Mass536.20
IUPAC NameN-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-propan-2-ylsulfonylpiperidine-3-carboxamide
SMILESCC(C)S(=O)(=O)N1CCCC(C(=O)Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(Cl)cn2)C1
InChIInChI=1S/C24H33ClN6O4S/c1-16(2)36(33,34)31-7-3-4-18(15-31)24(32)30-22-10-19(20(25)12-28-22)21-13-26-14-23(29-21)27-11-17-5-8-35-9-6-17/h10,12-14,16-18H,3-9,11,15H2,1-2H3,(H,27,29)(H,28,30,32)
InChIKeyDTEOIPWRZPEJMD-UHFFFAOYSA-N
XLogP3.42
TPSA126.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.09
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 3-[[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 67980053
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 67033659
(3S)-N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 67033459
N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 77401595
N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-2-(1-propan-2-ylsulfonylpiperidin-3-yl)acetamide
CID 123737371
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-2-pyridin-3-ylacetamide
CID 67034230
methyl 3-[[5-chloro-4-[2-chloro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 77401600
2-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethanone
CID 149306145
6-(2-amino-5-chloro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyrazin-2-amine
CID 67033343
N-[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-5-[4-[[[5-chloro-6-[5-chloro-2-[[3-(propan-2-ylsulfonylamino)cyclopentanecarbonyl]amino]-4-pyridinyl]pyrazin-2-yl]amino]methyl]oxan-2-yl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 123887364
2-[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-1-[(3S)-1-methylsulfonylpiperidin-3-yl]ethanone
CID 58284751
N-[5-chloro-4-[3-chloro-6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-3-(methanesulfonamido)cyclopentane-1-carboxamide
CID 123874054

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-propan-2-ylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-propan-2-ylsulfonylpiperidine-3-carboxamide (CID 67033474) is N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-propan-2-ylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-propan-2-ylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-propan-2-ylsulfonylpiperidine-3-carboxamide is CC(C)S(=O)(=O)N1CCCC(C(=O)Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(Cl)cn2)C1.
What is the InChIKey of N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-propan-2-ylsulfonylpiperidine-3-carboxamide?
The InChIKey is DTEOIPWRZPEJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN6O4S/c1-16(2)36(33,34)31-7-3-4-18(15-31)24(32)30-22-10-19(20(25)12-28-22)21-13-26-14-23(29-21)27-11-17-5-8-35-9-6-17/h10,12-14,16-18H,3-9,11,15H2,1-2H3,(H,27,29)(H,28,30,32).
What are the key properties of N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-propan-2-ylsulfonylpiperidine-3-carboxamide?
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-propan-2-ylsulfonylpiperidine-3-carboxamide has a molecular weight of 537.09 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-propan-2-ylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 67033474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).