N-[1-[2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]pyridine-4-carboxamide

C19H21N5O3 — CID 46967924

IUPACN-[1-[2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1)c1cc(=O)n2[nH]c(C3CCOCC3)cc2n1
InChIInChI=1S/C19H21N5O3/c1-12(21-19(26)14-2-6-20-7-3-14)15-11-18(25)24-17(22-15)10-16(23-24)13-4-8-27-9-5-13/h2-3,6-7,10-13,23H,4-5,8-9H2,1H3,(H,21,26)
InChIKeyNDOZNOHDRFVAJU-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.80
Rot. Bonds4

About N-[1-[2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]pyridine-4-carboxamide

N-[1-[2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]pyridine-4-carboxamide (PubChem CID 46967924) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[1-[2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]pyridine-4-carboxamide
PubChem CID46967924
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-[1-[2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1ccncc1)c1cc(=O)n2[nH]c(C3CCOCC3)cc2n1
InChIInChI=1S/C19H21N5O3/c1-12(21-19(26)14-2-6-20-7-3-14)15-11-18(25)24-17(22-15)10-16(23-24)13-4-8-27-9-5-13/h2-3,6-7,10-13,23H,4-5,8-9H2,1H3,(H,21,26)
InChIKeyNDOZNOHDRFVAJU-UHFFFAOYSA-N
XLogP1.80
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]pyridine-4-carboxamide?
The IUPAC name of N-[1-[2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]pyridine-4-carboxamide (CID 46967924) is N-[1-[2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]pyridine-4-carboxamide is CC(NC(=O)c1ccncc1)c1cc(=O)n2[nH]c(C3CCOCC3)cc2n1.
What is the InChIKey of N-[1-[2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]pyridine-4-carboxamide?
The InChIKey is NDOZNOHDRFVAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12(21-19(26)14-2-6-20-7-3-14)15-11-18(25)24-17(22-15)10-16(23-24)13-4-8-27-9-5-13/h2-3,6-7,10-13,23H,4-5,8-9H2,1H3,(H,21,26).
What are the key properties of N-[1-[2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]pyridine-4-carboxamide?
N-[1-[2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(oxan-4-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 46967924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).