N-(2,4-diethoxypyrimidin-5-yl)pyridine-2-carboxamide

C14H16N4O3 — CID 71807613

IUPACN-(2,4-diethoxypyrimidin-5-yl)pyridine-2-carboxamide
SMILESCCOc1ncc(NC(=O)c2ccccn2)c(OCC)n1
InChIInChI=1S/C14H16N4O3/c1-3-20-13-11(9-16-14(18-13)21-4-2)17-12(19)10-7-5-6-8-15-10/h5-9H,3-4H2,1-2H3,(H,17,19)
InChIKeyCJIWVSROLYNNMU-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.92
Rot. Bonds6

About N-(2,4-diethoxypyrimidin-5-yl)pyridine-2-carboxamide

N-(2,4-diethoxypyrimidin-5-yl)pyridine-2-carboxamide (PubChem CID 71807613) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-(2,4-diethoxypyrimidin-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-diethoxypyrimidin-5-yl)pyridine-2-carboxamide
PubChem CID71807613
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-(2,4-diethoxypyrimidin-5-yl)pyridine-2-carboxamide
SMILESCCOc1ncc(NC(=O)c2ccccn2)c(OCC)n1
InChIInChI=1S/C14H16N4O3/c1-3-20-13-11(9-16-14(18-13)21-4-2)17-12(19)10-7-5-6-8-15-10/h5-9H,3-4H2,1-2H3,(H,17,19)
InChIKeyCJIWVSROLYNNMU-UHFFFAOYSA-N
XLogP1.92
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[(1R,2S)-2-aminocyclohexyl]amino]-3-[[6-(2-hydroxy-2-methylpropoxy)-2-methylpyrimidin-4-yl]amino]pyridine-2-carboxamide
CID 118733353
6-methyl-N-(6-methyl-2-pyridinyl)-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197614
N-(6-ethyl-2-pyridinyl)-6-methyl-4-pyrimidin-5-yloxypyridine-2-carboxamide
CID 60197937
Pyrimidine-4-carboxamide, 87
CID 44520956
2-(cyclopentanecarbonylamino)-N-(4-ethoxy-3-pyridinyl)pyridine-4-carboxamide
CID 118070979
2-anilino-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide
CID 134543214
2-(4-cyanoanilino)-N-[4-(2,2,2-trifluoroethoxy)pyridin-3-yl]pyrimidine-4-carboxamide
CID 134543736
2-(4-cyanoanilino)-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide
CID 134556467
N-[4-(2,2,2-trifluoroethoxy)pyridin-3-yl]-2-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 134556510
2-anilino-N-[4-(2,2,2-trifluoroethoxy)pyridin-3-yl]pyrimidine-4-carboxamide
CID 134556564
4-bromo-N-(5-pyrimidin-5-yloxy-3-pyridinyl)pyridine-2-carboxamide
CID 51038391
4-Methoxy-N-(5-(pyrimidin-5-yloxy)pyridin-3-yl)picolinamide
CID 58349110

Frequently Asked Questions

What is the IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2,4-diethoxypyrimidin-5-yl)pyridine-2-carboxamide (CID 71807613) is N-(2,4-diethoxypyrimidin-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2,4-diethoxypyrimidin-5-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2,4-diethoxypyrimidin-5-yl)pyridine-2-carboxamide is CCOc1ncc(NC(=O)c2ccccn2)c(OCC)n1.
What is the InChIKey of N-(2,4-diethoxypyrimidin-5-yl)pyridine-2-carboxamide?
The InChIKey is CJIWVSROLYNNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-3-20-13-11(9-16-14(18-13)21-4-2)17-12(19)10-7-5-6-8-15-10/h5-9H,3-4H2,1-2H3,(H,17,19).
What are the key properties of N-(2,4-diethoxypyrimidin-5-yl)pyridine-2-carboxamide?
N-(2,4-diethoxypyrimidin-5-yl)pyridine-2-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diethoxypyrimidin-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 71807613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).