6-[[4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide

C16H19N5O3 — CID 110269710

IUPAC6-[[4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(CC2COCCN(C(=O)c3ccn[nH]3)C2)n1
InChIInChI=1S/C16H19N5O3/c17-15(22)13-3-1-2-12(19-13)8-11-9-21(6-7-24-10-11)16(23)14-4-5-18-20-14/h1-5,11H,6-10H2,(H2,17,22)(H,18,20)
InChIKeyPDGXCKGELHDYSZ-UHFFFAOYSA-N
MW329.36 g/mol
LogP0.23
Rot. Bonds4

About 6-[[4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide

6-[[4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide (PubChem CID 110269710) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 6-[[4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
PubChem CID110269710
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name6-[[4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(CC2COCCN(C(=O)c3ccn[nH]3)C2)n1
InChIInChI=1S/C16H19N5O3/c17-15(22)13-3-1-2-12(19-13)8-11-9-21(6-7-24-10-11)16(23)14-4-5-18-20-14/h1-5,11H,6-10H2,(H2,17,22)(H,18,20)
InChIKeyPDGXCKGELHDYSZ-UHFFFAOYSA-N
XLogP0.23
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(6R)-6-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,4-oxazepan-4-yl]-(1H-pyrazol-5-yl)methanone
CID 95847965
[6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(1H-pyrazol-5-yl)methanone
CID 110111370
6-[[(6S)-4-(1,3-thiazole-4-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 95842641
[(6R)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(1H-pyrazol-5-yl)methanone
CID 124966101
(6-bromo-1,4-oxazepan-4-yl)-(1H-pyrazol-5-yl)methanone
CID 130940185
6-[[(6R)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 95840701
pyridin-2-yl-[(6S)-6-(pyrimidin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124961736
(6-methyl-2-pyridinyl)-[(6S)-6-(pyrimidin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 95848128
6-(2-morpholin-4-yl-2-oxoethyl)pyridine-2-carboxamide
CID 68841111
5-[[4-(1,3-thiazole-4-carbonyl)-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide
CID 110269713
[2-(hydroxymethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 81208376
[2-(1-aminoethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 81485136

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of 6-[[4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide (CID 110269710) is 6-[[4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[[4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[[4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide is NC(=O)c1cccc(CC2COCCN(C(=O)c3ccn[nH]3)C2)n1.
What is the InChIKey of 6-[[4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
The InChIKey is PDGXCKGELHDYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c17-15(22)13-3-1-2-12(19-13)8-11-9-21(6-7-24-10-11)16(23)14-4-5-18-20-14/h1-5,11H,6-10H2,(H2,17,22)(H,18,20).
What are the key properties of 6-[[4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
6-[[4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 110269710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).