N'-(furan-3-carbonyl)-2-pyrrolidin-1-ylpyrimidine-4-carbohydrazide

C14H15N5O3 — CID 166208795

IUPACN'-(furan-3-carbonyl)-2-pyrrolidin-1-ylpyrimidine-4-carbohydrazide
SMILESO=C(NNC(=O)c1ccnc(N2CCCC2)n1)c1ccoc1
InChIInChI=1S/C14H15N5O3/c20-12(10-4-8-22-9-10)17-18-13(21)11-3-5-15-14(16-11)19-6-1-2-7-19/h3-5,8-9H,1-2,6-7H2,(H,17,20)(H,18,21)
InChIKeyQSZGURCOCGZREW-UHFFFAOYSA-N
MW301.31 g/mol
LogP0.74
Rot. Bonds3

About N'-(furan-3-carbonyl)-2-pyrrolidin-1-ylpyrimidine-4-carbohydrazide

N'-(furan-3-carbonyl)-2-pyrrolidin-1-ylpyrimidine-4-carbohydrazide (PubChem CID 166208795) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is N'-(furan-3-carbonyl)-2-pyrrolidin-1-ylpyrimidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(furan-3-carbonyl)-2-pyrrolidin-1-ylpyrimidine-4-carbohydrazide
PubChem CID166208795
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC NameN'-(furan-3-carbonyl)-2-pyrrolidin-1-ylpyrimidine-4-carbohydrazide
SMILESO=C(NNC(=O)c1ccnc(N2CCCC2)n1)c1ccoc1
InChIInChI=1S/C14H15N5O3/c20-12(10-4-8-22-9-10)17-18-13(21)11-3-5-15-14(16-11)19-6-1-2-7-19/h3-5,8-9H,1-2,6-7H2,(H,17,20)(H,18,21)
InChIKeyQSZGURCOCGZREW-UHFFFAOYSA-N
XLogP0.74
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 140686303
azepan-1-yl-(2-pyrrolidin-1-ylpyrimidin-4-yl)methanone
CID 109297545
2-(azepan-1-yl)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109313208
N-butan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297273
(2S)-2-[(2-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]propanoic acid
CID 119942730
N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297550
4-[[(2-pyrrolidin-1-ylpyrimidine-4-carbonyl)amino]methyl]benzoic acid
CID 119353448
2-(azepan-1-yl)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109313205
2-(azepan-1-yl)-N-butan-2-ylpyrimidine-4-carboxamide
CID 109297356
N-(2-oxopiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 166186141
2-(azepan-1-yl)-N-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 109313282
2-(azepan-1-yl)-N-benzylpyrimidine-4-carboxamide
CID 109303801

Frequently Asked Questions

What is the IUPAC name of N'-(furan-3-carbonyl)-2-pyrrolidin-1-ylpyrimidine-4-carbohydrazide?
The IUPAC name of N'-(furan-3-carbonyl)-2-pyrrolidin-1-ylpyrimidine-4-carbohydrazide (CID 166208795) is N'-(furan-3-carbonyl)-2-pyrrolidin-1-ylpyrimidine-4-carbohydrazide.
What is the SMILES notation for N'-(furan-3-carbonyl)-2-pyrrolidin-1-ylpyrimidine-4-carbohydrazide?
The canonical SMILES for N'-(furan-3-carbonyl)-2-pyrrolidin-1-ylpyrimidine-4-carbohydrazide is O=C(NNC(=O)c1ccnc(N2CCCC2)n1)c1ccoc1.
What is the InChIKey of N'-(furan-3-carbonyl)-2-pyrrolidin-1-ylpyrimidine-4-carbohydrazide?
The InChIKey is QSZGURCOCGZREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c20-12(10-4-8-22-9-10)17-18-13(21)11-3-5-15-14(16-11)19-6-1-2-7-19/h3-5,8-9H,1-2,6-7H2,(H,17,20)(H,18,21).
What are the key properties of N'-(furan-3-carbonyl)-2-pyrrolidin-1-ylpyrimidine-4-carbohydrazide?
N'-(furan-3-carbonyl)-2-pyrrolidin-1-ylpyrimidine-4-carbohydrazide has a molecular weight of 301.31 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-3-carbonyl)-2-pyrrolidin-1-ylpyrimidine-4-carbohydrazide is sourced from PubChem (CID 166208795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).