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

C19H20N6O4 — CID 110123012

IUPACN-[[4-(2H-benzotriazole-5-carbonyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NCC1(O)COCCN(C(=O)c2ccc3n[nH]nc3c2)C1)c1ccccn1
InChIInChI=1S/C19H20N6O4/c26-17(15-3-1-2-6-20-15)21-10-19(28)11-25(7-8-29-12-19)18(27)13-4-5-14-16(9-13)23-24-22-14/h1-6,9,28H,7-8,10-12H2,(H,21,26)(H,22,23,24)
InChIKeyLHCUBJUSHHQVNX-UHFFFAOYSA-N
MW396.41 g/mol
LogP-0.01
Rot. Bonds4

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

N-[[4-(2H-benzotriazole-5-carbonyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide (PubChem CID 110123012) has the molecular formula C19H20N6O4 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-[[4-(2H-benzotriazole-5-carbonyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(2H-benzotriazole-5-carbonyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
PubChem CID110123012
Molecular FormulaC19H20N6O4
Molecular Weight396.41 g/mol
Exact Mass396.15
IUPAC NameN-[[4-(2H-benzotriazole-5-carbonyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NCC1(O)COCCN(C(=O)c2ccc3n[nH]nc3c2)C1)c1ccccn1
InChIInChI=1S/C19H20N6O4/c26-17(15-3-1-2-6-20-15)21-10-19(28)11-25(7-8-29-12-19)18(27)13-4-5-14-16(9-13)23-24-22-14/h1-6,9,28H,7-8,10-12H2,(H,21,26)(H,22,23,24)
InChIKeyLHCUBJUSHHQVNX-UHFFFAOYSA-N
XLogP-0.01
TPSA133.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[4-(2H-benzotriazole-5-carbonyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[[(6R)-6-hydroxy-4-(3-phenyl-1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 124976970
N-[[(6R)-6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 124954161
N-[[(6S)-6-hydroxy-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 125004694
N-[[4-(2-amino-6-methylpyrimidine-4-carbonyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 110122167
N-[[(6R)-6-hydroxy-4-(3-phenyl-1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide
CID 124952698
N-[[(6R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 125006523
N-[[6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]-1,3-thiazole-4-carboxamide
CID 110118833
N-[[6-hydroxy-4-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide
CID 155983777
[6-hydroxy-6-[(3-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-pyridin-2-ylmethanone
CID 132764545
N-[[6-hydroxy-4-(1H-indole-2-carbonyl)-1,4-oxazepan-6-yl]methyl]-1H-pyrazole-5-carboxamide
CID 110118809
N-(2-morpholin-4-yl-2-pyridin-2-ylethyl)-2H-benzotriazole-5-carboxamide
CID 77091232
N-[[(6S)-6-hydroxy-4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]acetamide
CID 125018899

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2H-benzotriazole-5-carbonyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(2H-benzotriazole-5-carbonyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide (CID 110123012) is N-[[4-(2H-benzotriazole-5-carbonyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(2H-benzotriazole-5-carbonyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(2H-benzotriazole-5-carbonyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide is O=C(NCC1(O)COCCN(C(=O)c2ccc3n[nH]nc3c2)C1)c1ccccn1.
What is the InChIKey of N-[[4-(2H-benzotriazole-5-carbonyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
The InChIKey is LHCUBJUSHHQVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4/c26-17(15-3-1-2-6-20-15)21-10-19(28)11-25(7-8-29-12-19)18(27)13-4-5-14-16(9-13)23-24-22-14/h1-6,9,28H,7-8,10-12H2,(H,21,26)(H,22,23,24).
What are the key properties of N-[[4-(2H-benzotriazole-5-carbonyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide?
N-[[4-(2H-benzotriazole-5-carbonyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide has a molecular weight of 396.41 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2H-benzotriazole-5-carbonyl)-6-hydroxy-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 110123012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).