formic acid;N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

C17H22N4O7 — CID 154912602

IUPACformic acid;N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1cc(=O)[nH]cn1)c1ccc(CN2CCCC2)o1.O=CO.O=CO
InChIInChI=1S/C15H18N4O3.2CH2O2/c20-14-7-11(17-10-18-14)8-16-15(21)13-4-3-12(22-13)9-19-5-1-2-6-19;2*2-1-3/h3-4,7,10H,1-2,5-6,8-9H2,(H,16,21)(H,17,18,20);2*1H,(H,2,3)
InChIKeyWZZIQASVCQYUNF-UHFFFAOYSA-N
MW394.38 g/mol
LogP0.29
Rot. Bonds5

About formic acid;N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

formic acid;N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (PubChem CID 154912602) has the molecular formula C17H22N4O7 and a molecular weight of 394.38 g/mol. Its IUPAC name is formic acid;N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Nameformic acid;N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
PubChem CID154912602
Molecular FormulaC17H22N4O7
Molecular Weight394.38 g/mol
Exact Mass394.15
IUPAC Nameformic acid;N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
SMILESO=C(NCc1cc(=O)[nH]cn1)c1ccc(CN2CCCC2)o1.O=CO.O=CO
InChIInChI=1S/C15H18N4O3.2CH2O2/c20-14-7-11(17-10-18-14)8-16-15(21)13-4-3-12(22-13)9-19-5-1-2-6-19;2*2-1-3/h3-4,7,10H,1-2,5-6,8-9H2,(H,16,21)(H,17,18,20);2*1H,(H,2,3)
InChIKeyWZZIQASVCQYUNF-UHFFFAOYSA-N
XLogP0.29
TPSA165.83 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(1-ethylpyrazol-3-yl)methyl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416080
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
4-[(3S)-1-[5-(pyrrolidin-1-ylmethyl)furan-2-carbonyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136801295
N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 74244576
N-[(1-ethylpyrazol-4-yl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414076
N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 118769180
4-(1,3-benzodioxol-5-ylmethyl)-N-[(6-oxo-1H-pyrimidin-4-yl)methyl]piperazine-1-carboxamide
CID 137028638
N-benzyl-5-[(4-benzylpiperazin-1-yl)methyl]furan-2-carboxamide
CID 46055527
N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414016
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131924608
4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]butanoyl chloride
CID 19415966
5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 42850938

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of formic acid;N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide (CID 154912602) is formic acid;N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for formic acid;N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for formic acid;N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is O=C(NCc1cc(=O)[nH]cn1)c1ccc(CN2CCCC2)o1.O=CO.O=CO.
What is the InChIKey of formic acid;N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
The InChIKey is WZZIQASVCQYUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3.2CH2O2/c20-14-7-11(17-10-18-14)8-16-15(21)13-4-3-12(22-13)9-19-5-1-2-6-19;2*2-1-3/h3-4,7,10H,1-2,5-6,8-9H2,(H,16,21)(H,17,18,20);2*1H,(H,2,3).
What are the key properties of formic acid;N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide?
formic acid;N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide has a molecular weight of 394.38 g/mol, XLogP of 0.29, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[(6-oxo-1H-pyrimidin-4-yl)methyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 154912602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).