ethyl 6-[[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate

C21H25N5O4 — CID 55970967

IUPACethyl 6-[[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)nc1C
InChIInChI=1S/C21H25N5O4/c1-3-30-21(29)16-7-8-17(24-13(16)2)20(28)25-15-6-9-18(23-11-15)26-10-4-5-14(12-26)19(22)27/h6-9,11,14H,3-5,10,12H2,1-2H3,(H2,22,27)(H,25,28)
InChIKeyNSLMULAOUIJNIW-UHFFFAOYSA-N
MW411.46 g/mol
LogP1.92
Rot. Bonds6

About ethyl 6-[[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate

ethyl 6-[[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate (PubChem CID 55970967) has the molecular formula C21H25N5O4 and a molecular weight of 411.46 g/mol. Its IUPAC name is ethyl 6-[[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate
PubChem CID55970967
Molecular FormulaC21H25N5O4
Molecular Weight411.46 g/mol
Exact Mass411.19
IUPAC Nameethyl 6-[[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)nc1C
InChIInChI=1S/C21H25N5O4/c1-3-30-21(29)16-7-8-17(24-13(16)2)20(28)25-15-6-9-18(23-11-15)26-10-4-5-14(12-26)19(22)27/h6-9,11,14H,3-5,10,12H2,1-2H3,(H2,22,27)(H,25,28)
InChIKeyNSLMULAOUIJNIW-UHFFFAOYSA-N
XLogP1.92
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate with MolForge

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Related Compounds

1-[5-[(5-methyl-2-pyrrolidin-1-ylbenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86962982
6-(3-bromophenyl)-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-2-methylpyridine-3-carboxamide
CID 55701075
1-[5-[(1-benzyl-5-methylpyrazole-4-carbonyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 86883409
1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967635
1-[5-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700900
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55701198
1-[5-[[4-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970456
methyl 6-(3-ethoxycarbonylpiperidin-1-yl)-2-methylpyridine-3-carboxylate
CID 133391396
1-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 90309940
(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 95312803
2-butyl-N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-1,3-dioxoisoindole-5-carboxamide
CID 55968280
ethyl N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]carbamate
CID 113015658

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate?
The IUPAC name of ethyl 6-[[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate (CID 55970967) is ethyl 6-[[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate is CCOC(=O)c1ccc(C(=O)Nc2ccc(N3CCCC(C(N)=O)C3)nc2)nc1C.
What is the InChIKey of ethyl 6-[[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate?
The InChIKey is NSLMULAOUIJNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O4/c1-3-30-21(29)16-7-8-17(24-13(16)2)20(28)25-15-6-9-18(23-11-15)26-10-4-5-14(12-26)19(22)27/h6-9,11,14H,3-5,10,12H2,1-2H3,(H2,22,27)(H,25,28).
What are the key properties of ethyl 6-[[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate?
ethyl 6-[[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate has a molecular weight of 411.46 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 55970967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).