2-methoxy-5-[[2-[(2S)-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

C20H24N6O4 — CID 167033457

IUPAC2-methoxy-5-[[2-[(2S)-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESCNc1ccc([C@@H]2CCCCN2C(=O)C(=O)Nc2cnc(OC)c(C(N)=O)c2)cn1
InChIInChI=1S/C20H24N6O4/c1-22-16-7-6-12(10-23-16)15-5-3-4-8-26(15)20(29)18(28)25-13-9-14(17(21)27)19(30-2)24-11-13/h6-7,9-11,15H,3-5,8H2,1-2H3,(H2,21,27)(H,22,23)(H,25,28)/t15-/m0/s1
InChIKeyHLRSVBDBPMWEPU-HNNXBMFYSA-N
MW412.45 g/mol
LogP1.32
Rot. Bonds5

About 2-methoxy-5-[[2-[(2S)-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

2-methoxy-5-[[2-[(2S)-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (PubChem CID 167033457) has the molecular formula C20H24N6O4 and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-methoxy-5-[[2-[(2S)-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-5-[[2-[(2S)-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
PubChem CID167033457
Molecular FormulaC20H24N6O4
Molecular Weight412.45 g/mol
Exact Mass412.19
IUPAC Name2-methoxy-5-[[2-[(2S)-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
SMILESCNc1ccc([C@@H]2CCCCN2C(=O)C(=O)Nc2cnc(OC)c(C(N)=O)c2)cn1
InChIInChI=1S/C20H24N6O4/c1-22-16-7-6-12(10-23-16)15-5-3-4-8-26(15)20(29)18(28)25-13-9-14(17(21)27)19(30-2)24-11-13/h6-7,9-11,15H,3-5,8H2,1-2H3,(H2,21,27)(H,22,23)(H,25,28)/t15-/m0/s1
InChIKeyHLRSVBDBPMWEPU-HNNXBMFYSA-N
XLogP1.32
TPSA139.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-methoxy-5-[[2-[(2S)-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide with MolForge

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Related Compounds

2-methoxy-5-[[2-[(5S)-5-methyl-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 167034018
5-[[2-[(2S,5R)-2-(6-acetamido-3-pyridinyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
CID 164750422
5-[[2-[(2S)-2-cyclopentylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen
CID 167598546
5-[[2-[2-[6-(methanesulfonamido)-3-pyridinyl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
CID 164752908
5-[[2-[(2S)-2-[2-[2-(dimethylamino)ethyl]-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
CID 167033076
N-(6-amino-5-ethyl-3-pyridinyl)-2-[(2S)-2-[6-(methanesulfonamido)-3-pyridinyl]piperidin-1-yl]-2-oxoacetamide
CID 167033183
5-[[2-[(2R,5R)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
CID 164753557
5-[[2-[(2S,5S)-2-cyclopentyl-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide;molecular hydrogen
CID 167600347
5-[[2-[2-(3H-benzimidazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-2-methoxypyridine-3-carboxamide
CID 164751460
2-methoxy-5-[[2-[(2S,5R)-5-methyl-2-(2-methylindazol-5-yl)piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 166022662
2-methoxy-5-[[2-[(2R,5S)-5-methyl-2-[2-(2-pyrrolidin-1-ylethyl)-1,3-benzothiazol-5-yl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
CID 164750095
N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]acetamide
CID 164750958

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[[2-[(2S)-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-5-[[2-[(2S)-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (CID 167033457) is 2-methoxy-5-[[2-[(2S)-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-5-[[2-[(2S)-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-5-[[2-[(2S)-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is CNc1ccc([C@@H]2CCCCN2C(=O)C(=O)Nc2cnc(OC)c(C(N)=O)c2)cn1.
What is the InChIKey of 2-methoxy-5-[[2-[(2S)-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
The InChIKey is HLRSVBDBPMWEPU-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N6O4/c1-22-16-7-6-12(10-23-16)15-5-3-4-8-26(15)20(29)18(28)25-13-9-14(17(21)27)19(30-2)24-11-13/h6-7,9-11,15H,3-5,8H2,1-2H3,(H2,21,27)(H,22,23)(H,25,28)/t15-/m0/s1.
What are the key properties of 2-methoxy-5-[[2-[(2S)-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?
2-methoxy-5-[[2-[(2S)-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[[2-[(2S)-2-[6-(methylamino)-3-pyridinyl]piperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 167033457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).