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

C24H31ClN6O4 — CID 67033659

IUPACN-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(C(=O)Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(Cl)cn2)C1
InChIInChI=1S/C24H31ClN6O4/c1-34-15-23(32)31-6-2-3-17(14-31)24(33)30-21-9-18(19(25)11-28-21)20-12-26-13-22(29-20)27-10-16-4-7-35-8-5-16/h9,11-13,16-17H,2-8,10,14-15H2,1H3,(H,27,29)(H,28,30,33)
InChIKeyCITHMVXMPHGNKM-UHFFFAOYSA-N
MW503.00 g/mol
LogP2.85
Rot. Bonds8

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

N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide (PubChem CID 67033659) has the molecular formula C24H31ClN6O4 and a molecular weight of 503.00 g/mol. Its IUPAC name is N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
PubChem CID67033659
Molecular FormulaC24H31ClN6O4
Molecular Weight503.00 g/mol
Exact Mass502.21
IUPAC NameN-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(C(=O)Nc2cc(-c3cncc(NCC4CCOCC4)n3)c(Cl)cn2)C1
InChIInChI=1S/C24H31ClN6O4/c1-34-15-23(32)31-6-2-3-17(14-31)24(33)30-21-9-18(19(25)11-28-21)20-12-26-13-22(29-20)27-10-16-4-7-35-8-5-16/h9,11-13,16-17H,2-8,10,14-15H2,1H3,(H,27,29)(H,28,30,33)
InChIKeyCITHMVXMPHGNKM-UHFFFAOYSA-N
XLogP2.85
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.00
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide with MolForge

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Launch Full Analysis

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-propan-2-ylsulfonylpiperidine-3-carboxamide
CID 67033474
(3S)-N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 67033459
methyl 3-[[5-chloro-4-[2-chloro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 77401600
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1,4-oxazepane-6-carboxamide
CID 77407667
methyl (3S)-3-[[5-chloro-4-[3-chloro-6-[(2,2-dimethyloxan-4-yl)methylamino]-2-pyridinyl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 67043652
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-2-pyridin-3-ylacetamide
CID 67034230
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
1-[(3S)-1-acetylpiperidin-3-yl]-2-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]ethanone
CID 58284652
6-(2-amino-5-chloro-4-pyridinyl)-N-(oxan-4-ylmethyl)pyrazin-2-amine
CID 67033343
N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 77401595
methyl (3S)-3-[[5-chloro-4-[3-chloro-6-[[(1S)-1-(oxan-4-yl)ethyl]amino]-2-pyridinyl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 67222785

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The IUPAC name of N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide (CID 67033659) is N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide is COCC(=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-(2-methoxyacetyl)piperidine-3-carboxamide?
The InChIKey is CITHMVXMPHGNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN6O4/c1-34-15-23(32)31-6-2-3-17(14-31)24(33)30-21-9-18(19(25)11-28-21)20-12-26-13-22(29-20)27-10-16-4-7-35-8-5-16/h9,11-13,16-17H,2-8,10,14-15H2,1H3,(H,27,29)(H,28,30,33).
What are the key properties of N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide?
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide has a molecular weight of 503.00 g/mol, XLogP of 2.85, 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-(2-methoxyacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 67033659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).