3-methyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide

C16H20N4O3 — CID 137200016

IUPAC3-methyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NCC1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C16H20N4O3/c1-11-4-6-23-15(11)16(22)17-8-12-3-2-5-20(9-12)13-7-14(21)19-10-18-13/h4,6-7,10,12H,2-3,5,8-9H2,1H3,(H,17,22)(H,18,19,21)
InChIKeyIKNVLDRDOJJYIU-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.32
Rot. Bonds4

About 3-methyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide

3-methyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide (PubChem CID 137200016) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-methyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide
PubChem CID137200016
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name3-methyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)NCC1CCCN(c2cc(=O)[nH]cn2)C1
InChIInChI=1S/C16H20N4O3/c1-11-4-6-23-15(11)16(22)17-8-12-3-2-5-20(9-12)13-7-14(21)19-10-18-13/h4,6-7,10,12H,2-3,5,8-9H2,1H3,(H,17,22)(H,18,19,21)
InChIKeyIKNVLDRDOJJYIU-UHFFFAOYSA-N
XLogP1.32
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

3-methyl-N-[(1-pyrazin-2-ylpiperidin-3-yl)methyl]furan-2-carboxamide
CID 131952335
N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]pyridine-2-carboxamide
CID 137205321
4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136989738
2,4-dimethyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]-1,3-oxazole-5-carboxamide
CID 137200023
N-[[(3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 164631936
4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 137008019
4-(3-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957515
N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]methyl]furan-3-carboxamide
CID 137242292
3-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 30853413
N-[[1-[3-(2,4-dioxopyrimidin-1-yl)propanoyl]piperidin-3-yl]methyl]-3-methylfuran-2-carboxamide
CID 131920487
4-[[(3-methylfuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525609
(3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914108

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide?
The IUPAC name of 3-methyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide (CID 137200016) is 3-methyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 3-methyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide is Cc1ccoc1C(=O)NCC1CCCN(c2cc(=O)[nH]cn2)C1.
What is the InChIKey of 3-methyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide?
The InChIKey is IKNVLDRDOJJYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11-4-6-23-15(11)16(22)17-8-12-3-2-5-20(9-12)13-7-14(21)19-10-18-13/h4,6-7,10,12H,2-3,5,8-9H2,1H3,(H,17,22)(H,18,19,21).
What are the key properties of 3-methyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide?
3-methyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[1-(6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 137200016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).