N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

C16H22N6O2 — CID 56703242

IUPACN-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCn1ncnc1CN1CCC(CNC(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C16H22N6O2/c1-2-22-14(19-11-20-22)10-21-7-5-12(9-21)8-18-16(24)13-4-3-6-17-15(13)23/h3-4,6,11-12H,2,5,7-10H2,1H3,(H,17,23)(H,18,24)
InChIKeyGJFJQUNJMPTHSR-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.24
Rot. Bonds6

About N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide

N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 56703242) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
PubChem CID56703242
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC NameN-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
SMILESCCn1ncnc1CN1CCC(CNC(=O)c2ccc[nH]c2=O)C1
InChIInChI=1S/C16H22N6O2/c1-2-22-14(19-11-20-22)10-21-7-5-12(9-21)8-18-16(24)13-4-3-6-17-15(13)23/h3-4,6,11-12H,2,5,7-10H2,1H3,(H,17,23)(H,18,24)
InChIKeyGJFJQUNJMPTHSR-UHFFFAOYSA-N
XLogP0.24
TPSA95.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide (CID 56703242) is N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is CCn1ncnc1CN1CCC(CNC(=O)c2ccc[nH]c2=O)C1.
What is the InChIKey of N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is GJFJQUNJMPTHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-2-22-14(19-11-20-22)10-21-7-5-12(9-21)8-18-16(24)13-4-3-6-17-15(13)23/h3-4,6,11-12H,2,5,7-10H2,1H3,(H,17,23)(H,18,24).
What are the key properties of N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide?
N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56703242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).