N-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidin-3-yl]methyl]pyridine-3-carboxamide

C19H23N5O4 — CID 72837742

IUPACN-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
SMILESCc1cn(CC(=O)N2CCCC(CNC(=O)c3cccnc3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C19H23N5O4/c1-13-10-24(19(28)22-17(13)26)12-16(25)23-7-3-4-14(11-23)8-21-18(27)15-5-2-6-20-9-15/h2,5-6,9-10,14H,3-4,7-8,11-12H2,1H3,(H,21,27)(H,22,26,28)
InChIKeyRQOGJJAHOCKMLQ-UHFFFAOYSA-N
MW385.42 g/mol
LogP-0.09
Rot. Bonds5

About N-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidin-3-yl]methyl]pyridine-3-carboxamide

N-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 72837742) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
PubChem CID72837742
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC NameN-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
SMILESCc1cn(CC(=O)N2CCCC(CNC(=O)c3cccnc3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C19H23N5O4/c1-13-10-24(19(28)22-17(13)26)12-16(25)23-7-3-4-14(11-23)8-21-18(27)15-5-2-6-20-9-15/h2,5-6,9-10,14H,3-4,7-8,11-12H2,1H3,(H,21,27)(H,22,26,28)
InChIKeyRQOGJJAHOCKMLQ-UHFFFAOYSA-N
XLogP-0.09
TPSA117.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidin-3-yl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

5-methyl-1-[2-oxo-2-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]ethyl]pyrimidine-2,4-dione
CID 99937306
N-[[1-[(3-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
CID 45231575
3-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]pyrrolidin-3-yl]methyl]benzamide
CID 72937568
3-methyl-N-[[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]methyl]furan-2-carboxamide
CID 131948015
3-methoxy-4-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidin-3-yl]methoxy]benzonitrile
CID 155501347
N-[[(3S)-1-(2-ethylpyrazol-3-yl)sulfonylpiperidin-3-yl]methyl]pyridine-3-carboxamide
CID 97283559
N-[[1-[4-(2-methylphenoxy)butanoyl]piperidin-4-yl]methyl]pyridine-3-carboxamide
CID 108924675
N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 110414295
4-fluoro-N-[[(3S)-1-[2-(2-methylphenyl)acetyl]piperidin-3-yl]methyl]benzamide
CID 42286302
N-[[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
CID 45195444
1-[3-(methylaminomethyl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 62691421
N-[[(3R)-1-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
CID 97278122

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidin-3-yl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidin-3-yl]methyl]pyridine-3-carboxamide (CID 72837742) is N-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidin-3-yl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidin-3-yl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidin-3-yl]methyl]pyridine-3-carboxamide is Cc1cn(CC(=O)N2CCCC(CNC(=O)c3cccnc3)C2)c(=O)[nH]c1=O.
What is the InChIKey of N-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidin-3-yl]methyl]pyridine-3-carboxamide?
The InChIKey is RQOGJJAHOCKMLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-13-10-24(19(28)22-17(13)26)12-16(25)23-7-3-4-14(11-23)8-21-18(27)15-5-2-6-20-9-15/h2,5-6,9-10,14H,3-4,7-8,11-12H2,1H3,(H,21,27)(H,22,26,28).
What are the key properties of N-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidin-3-yl]methyl]pyridine-3-carboxamide?
N-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 385.42 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]piperidin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 72837742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).