N-[(5-methylfuran-2-yl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide

C21H27N5O3 — CID 75188110

IUPACN-[(5-methylfuran-2-yl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN(C(=O)C3CC(c4ccccn4)NN3)C2)o1
InChIInChI=1S/C21H27N5O3/c1-14-7-8-16(29-14)12-23-20(27)15-5-4-10-26(13-15)21(28)19-11-18(24-25-19)17-6-2-3-9-22-17/h2-3,6-9,15,18-19,24-25H,4-5,10-13H2,1H3,(H,23,27)
InChIKeyPAMDKQNHXVNKHZ-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.45
Rot. Bonds5

About N-[(5-methylfuran-2-yl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide

N-[(5-methylfuran-2-yl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide (PubChem CID 75188110) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(5-methylfuran-2-yl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methylfuran-2-yl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
PubChem CID75188110
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC NameN-[(5-methylfuran-2-yl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
SMILESCc1ccc(CNC(=O)C2CCCN(C(=O)C3CC(c4ccccn4)NN3)C2)o1
InChIInChI=1S/C21H27N5O3/c1-14-7-8-16(29-14)12-23-20(27)15-5-4-10-26(13-15)21(28)19-11-18(24-25-19)17-6-2-3-9-22-17/h2-3,6-9,15,18-19,24-25H,4-5,10-13H2,1H3,(H,23,27)
InChIKeyPAMDKQNHXVNKHZ-UHFFFAOYSA-N
XLogP1.45
TPSA99.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75551300
N-[(4-bromophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75551292
N-[(5-methylfuran-2-yl)methyl]-1-(3-pyridin-2-yl-1H-pyrazole-5-carbonyl)piperidine-3-carboxamide
CID 46352054
ethyl 4-[[1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carbonyl]amino]benzoate
CID 75551257
N-[(4-methylphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide
CID 75551296
N-(3-methoxyphenyl)-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75551266
N-[(2-methoxyphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide
CID 75551253
N-[(5-methylfuran-2-yl)methyl]-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidine-3-carboxamide
CID 53034430
1-(2,5-dimethylfuran-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 4285066
(3R)-1-(1H-benzimidazol-2-yl)-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 92876734
(3S)-1-[2-(4-fluorophenyl)pyrimidin-4-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-3-carboxamide
CID 95055741
(3S)-N-[(5-methylfuran-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95554585

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of N-[(5-methylfuran-2-yl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide (CID 75188110) is N-[(5-methylfuran-2-yl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(5-methylfuran-2-yl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(5-methylfuran-2-yl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide is Cc1ccc(CNC(=O)C2CCCN(C(=O)C3CC(c4ccccn4)NN3)C2)o1.
What is the InChIKey of N-[(5-methylfuran-2-yl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is PAMDKQNHXVNKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-14-7-8-16(29-14)12-23-20(27)15-5-4-10-26(13-15)21(28)19-11-18(24-25-19)17-6-2-3-9-22-17/h2-3,6-9,15,18-19,24-25H,4-5,10-13H2,1H3,(H,23,27).
What are the key properties of N-[(5-methylfuran-2-yl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide?
N-[(5-methylfuran-2-yl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 1.45, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylfuran-2-yl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 75188110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).