N'-[4-(furan-2-yl)piperidine-1-carbonyl]pyrimidine-2-carbohydrazide

C15H17N5O3 — CID 154842455

IUPACN'-[4-(furan-2-yl)piperidine-1-carbonyl]pyrimidine-2-carbohydrazide
SMILESO=C(NNC(=O)N1CCC(c2ccco2)CC1)c1ncccn1
InChIInChI=1S/C15H17N5O3/c21-14(13-16-6-2-7-17-13)18-19-15(22)20-8-4-11(5-9-20)12-3-1-10-23-12/h1-3,6-7,10-11H,4-5,8-9H2,(H,18,21)(H,19,22)
InChIKeyCTMXYGRIPJVQOF-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.30
Rot. Bonds2

About N'-[4-(furan-2-yl)piperidine-1-carbonyl]pyrimidine-2-carbohydrazide

N'-[4-(furan-2-yl)piperidine-1-carbonyl]pyrimidine-2-carbohydrazide (PubChem CID 154842455) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is N'-[4-(furan-2-yl)piperidine-1-carbonyl]pyrimidine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(furan-2-yl)piperidine-1-carbonyl]pyrimidine-2-carbohydrazide
PubChem CID154842455
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC NameN'-[4-(furan-2-yl)piperidine-1-carbonyl]pyrimidine-2-carbohydrazide
SMILESO=C(NNC(=O)N1CCC(c2ccco2)CC1)c1ncccn1
InChIInChI=1S/C15H17N5O3/c21-14(13-16-6-2-7-17-13)18-19-15(22)20-8-4-11(5-9-20)12-3-1-10-23-12/h1-3,6-7,10-11H,4-5,8-9H2,(H,18,21)(H,19,22)
InChIKeyCTMXYGRIPJVQOF-UHFFFAOYSA-N
XLogP1.30
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-(furan-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 110667356
3-(furan-2-yl)pyrrolidine-1-carboxamide
CID 131041480
N'-(2-cyclopropylpyrimidine-4-carbonyl)morpholine-4-carbohydrazide
CID 154860475
3-(furan-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyrrolidine-1-carboxamide
CID 154851372
methyl 4-[3-(furan-2-yl)pyrrolidin-1-yl]-4-oxobutanoate
CID 110667373
N'-(piperidine-1-carbonyl)pyridine-2-carbohydrazide
CID 141057389
(3S)-3-(furan-2-yl)pyrrolidine-1-carbothioamide
CID 134368012
1-(furan-2-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 17081700
[(7R)-7-(furan-2-yl)-1,4-thiazepan-4-yl]-(2-methylsulfanyl-3-pyridinyl)methanone
CID 124671090
[3-(furan-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 110603786
[3-(furan-2-yl)pyrrolidin-1-yl]-[4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)phenyl]methanone
CID 110618196
3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 110667360

Frequently Asked Questions

What is the IUPAC name of N'-[4-(furan-2-yl)piperidine-1-carbonyl]pyrimidine-2-carbohydrazide?
The IUPAC name of N'-[4-(furan-2-yl)piperidine-1-carbonyl]pyrimidine-2-carbohydrazide (CID 154842455) is N'-[4-(furan-2-yl)piperidine-1-carbonyl]pyrimidine-2-carbohydrazide.
What is the SMILES notation for N'-[4-(furan-2-yl)piperidine-1-carbonyl]pyrimidine-2-carbohydrazide?
The canonical SMILES for N'-[4-(furan-2-yl)piperidine-1-carbonyl]pyrimidine-2-carbohydrazide is O=C(NNC(=O)N1CCC(c2ccco2)CC1)c1ncccn1.
What is the InChIKey of N'-[4-(furan-2-yl)piperidine-1-carbonyl]pyrimidine-2-carbohydrazide?
The InChIKey is CTMXYGRIPJVQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c21-14(13-16-6-2-7-17-13)18-19-15(22)20-8-4-11(5-9-20)12-3-1-10-23-12/h1-3,6-7,10-11H,4-5,8-9H2,(H,18,21)(H,19,22).
What are the key properties of N'-[4-(furan-2-yl)piperidine-1-carbonyl]pyrimidine-2-carbohydrazide?
N'-[4-(furan-2-yl)piperidine-1-carbonyl]pyrimidine-2-carbohydrazide has a molecular weight of 315.33 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(furan-2-yl)piperidine-1-carbonyl]pyrimidine-2-carbohydrazide is sourced from PubChem (CID 154842455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).