1-[3-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]-2-pyridinyl]piperidine-3-carboxamide

C18H27N5O2 — CID 166217241

IUPAC1-[3-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
SMILESCC1CCCN1C(=O)NCc1cccnc1N1CCCC(C(N)=O)C1
InChIInChI=1S/C18H27N5O2/c1-13-5-3-10-23(13)18(25)21-11-14-6-2-8-20-17(14)22-9-4-7-15(12-22)16(19)24/h2,6,8,13,15H,3-5,7,9-12H2,1H3,(H2,19,24)(H,21,25)
InChIKeyXBRRAKNYOAIFMA-UHFFFAOYSA-N
MW345.45 g/mol
LogP1.48
Rot. Bonds4

About 1-[3-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]-2-pyridinyl]piperidine-3-carboxamide

1-[3-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 166217241) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[3-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID166217241
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name1-[3-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
SMILESCC1CCCN1C(=O)NCc1cccnc1N1CCCC(C(N)=O)C1
InChIInChI=1S/C18H27N5O2/c1-13-5-3-10-23(13)18(25)21-11-14-6-2-8-20-17(14)22-9-4-7-15(12-22)16(19)24/h2,6,8,13,15H,3-5,7,9-12H2,1H3,(H2,19,24)(H,21,25)
InChIKeyXBRRAKNYOAIFMA-UHFFFAOYSA-N
XLogP1.48
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[[(N'-methyl-N-propylcarbamimidoyl)amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 111226091
1-[3-[[[N'-methyl-N-(2-methylpropyl)carbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 111180081
1-[3-[[(N-butan-2-yl-N'-methylcarbamimidoyl)amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 110945604
1-[3-[[[N-(2-ethylbutyl)-N'-methylcarbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 111891233
1-[3-[[[N-methyl-C-(3-pentan-3-ylpyrrolidin-1-yl)carbonimidoyl]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 111744069
1-[3-[[[N'-methyl-N-(4-phenylbutan-2-yl)carbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide
CID 111172434
1-[3-[[[N-[(4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide;hydroiodide
CID 111183123
1-[3-[[[N-[(5-ethylthiophen-2-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 111957361
1-[3-[[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 111191986
1-[3-[[[N'-methyl-N-[2-(3-methylcyclohexyl)ethyl]carbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 111558035
1-[3-[[[[(2-chlorophenyl)methylamino]-(ethylamino)methylidene]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 111174110
1-[3-[[[N-ethyl-N'-[(2-methoxyphenyl)methyl]carbamimidoyl]amino]methyl]-2-pyridinyl]piperidine-3-carboxamide
CID 111216897

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[3-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]-2-pyridinyl]piperidine-3-carboxamide (CID 166217241) is 1-[3-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[3-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[3-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]-2-pyridinyl]piperidine-3-carboxamide is CC1CCCN1C(=O)NCc1cccnc1N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[3-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is XBRRAKNYOAIFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-13-5-3-10-23(13)18(25)21-11-14-6-2-8-20-17(14)22-9-4-7-15(12-22)16(19)24/h2,6,8,13,15H,3-5,7,9-12H2,1H3,(H2,19,24)(H,21,25).
What are the key properties of 1-[3-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]-2-pyridinyl]piperidine-3-carboxamide?
1-[3-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(2-methylpyrrolidine-1-carbonyl)amino]methyl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 166217241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).