N-(2,8-dioxo-5,6,7,9-tetrahydro-1H-pyrido[2,3-b]azepin-7-yl)-4-phenoxypyridine-2-carboxamide

C21H18N4O4 — CID 175423540

IUPACN-(2,8-dioxo-5,6,7,9-tetrahydro-1H-pyrido[2,3-b]azepin-7-yl)-4-phenoxypyridine-2-carboxamide
SMILESO=C(NC1CCc2ccc(=O)[nH]c2NC1=O)c1cc(Oc2ccccc2)ccn1
InChIInChI=1S/C21H18N4O4/c26-18-9-7-13-6-8-16(20(27)25-19(13)24-18)23-21(28)17-12-15(10-11-22-17)29-14-4-2-1-3-5-14/h1-5,7,9-12,16H,6,8H2,(H,23,28)(H2,24,25,26,27)
InChIKeyOERXCGBPPRFRHR-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.25
Rot. Bonds4

About N-(2,8-dioxo-5,6,7,9-tetrahydro-1H-pyrido[2,3-b]azepin-7-yl)-4-phenoxypyridine-2-carboxamide

N-(2,8-dioxo-5,6,7,9-tetrahydro-1H-pyrido[2,3-b]azepin-7-yl)-4-phenoxypyridine-2-carboxamide (PubChem CID 175423540) has the molecular formula C21H18N4O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is N-(2,8-dioxo-5,6,7,9-tetrahydro-1H-pyrido[2,3-b]azepin-7-yl)-4-phenoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2,8-dioxo-5,6,7,9-tetrahydro-1H-pyrido[2,3-b]azepin-7-yl)-4-phenoxypyridine-2-carboxamide
PubChem CID175423540
Molecular FormulaC21H18N4O4
Molecular Weight390.40 g/mol
Exact Mass390.13
IUPAC NameN-(2,8-dioxo-5,6,7,9-tetrahydro-1H-pyrido[2,3-b]azepin-7-yl)-4-phenoxypyridine-2-carboxamide
SMILESO=C(NC1CCc2ccc(=O)[nH]c2NC1=O)c1cc(Oc2ccccc2)ccn1
InChIInChI=1S/C21H18N4O4/c26-18-9-7-13-6-8-16(20(27)25-19(13)24-18)23-21(28)17-12-15(10-11-22-17)29-14-4-2-1-3-5-14/h1-5,7,9-12,16H,6,8H2,(H,23,28)(H2,24,25,26,27)
InChIKeyOERXCGBPPRFRHR-UHFFFAOYSA-N
XLogP2.25
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2,8-dioxo-5,6,7,9-tetrahydro-1H-pyrido[2,3-b]azepin-7-yl)-4-phenoxypyridine-2-carboxamide with MolForge

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Related Compounds

cis-(1R,3S)-3-[(4-phenoxypyridine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120677474
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-phenoxypyridine-2-carboxamide;dihydrochloride
CID 119457932
N-[(7S)-9-methyl-8-oxo-2-(3,4,4-trifluoro-3-hydroxybut-1-ynyl)-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-4-phenoxypyridine-2-carboxamide
CID 175423564
N-[(7S)-2-[3,3-difluoro-3-(oxetan-3-yl)prop-1-ynyl]-9-methyl-8-oxo-6,7-dihydro-5H-pyrido[2,3-b]azepin-7-yl]-4-phenoxypyridine-2-carboxamide
CID 159220898
N-[(3R)-2,6-dioxopiperidin-3-yl]pyridine-2-carboxamide
CID 175992021
N-[(6S)-4-methyl-5-oxo-3a,6,7,8-tetrahydro-3H-pyrazolo[1,5-a][1,3]diazepin-6-yl]-4-phenoxypyridine-2-carboxamide
CID 155479934
N-[8-(6-chloro-3-pyridinyl)-1,9a-dimethyl-2-oxo-3,4,5,9-tetrahydro-1-benzazepin-3-yl]-4-phenoxypyridine-2-carboxamide
CID 156738080
N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenoxypyridine-3-carboxamide
CID 66721366
N-methyl-4-[[7-[[2-(methylamino)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide
CID 66721564
N-(2,6-dioxopiperidin-3-yl)-4-piperazin-1-ylpyridine-2-carboxamide
CID 172609767
N-(2,6-dioxopiperidin-3-yl)-4-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]pyridine-2-carboxamide
CID 153384923
4-methoxy-N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]quinoline-2-carboxamide
CID 66721255

Frequently Asked Questions

What is the IUPAC name of N-(2,8-dioxo-5,6,7,9-tetrahydro-1H-pyrido[2,3-b]azepin-7-yl)-4-phenoxypyridine-2-carboxamide?
The IUPAC name of N-(2,8-dioxo-5,6,7,9-tetrahydro-1H-pyrido[2,3-b]azepin-7-yl)-4-phenoxypyridine-2-carboxamide (CID 175423540) is N-(2,8-dioxo-5,6,7,9-tetrahydro-1H-pyrido[2,3-b]azepin-7-yl)-4-phenoxypyridine-2-carboxamide.
What is the SMILES notation for N-(2,8-dioxo-5,6,7,9-tetrahydro-1H-pyrido[2,3-b]azepin-7-yl)-4-phenoxypyridine-2-carboxamide?
The canonical SMILES for N-(2,8-dioxo-5,6,7,9-tetrahydro-1H-pyrido[2,3-b]azepin-7-yl)-4-phenoxypyridine-2-carboxamide is O=C(NC1CCc2ccc(=O)[nH]c2NC1=O)c1cc(Oc2ccccc2)ccn1.
What is the InChIKey of N-(2,8-dioxo-5,6,7,9-tetrahydro-1H-pyrido[2,3-b]azepin-7-yl)-4-phenoxypyridine-2-carboxamide?
The InChIKey is OERXCGBPPRFRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O4/c26-18-9-7-13-6-8-16(20(27)25-19(13)24-18)23-21(28)17-12-15(10-11-22-17)29-14-4-2-1-3-5-14/h1-5,7,9-12,16H,6,8H2,(H,23,28)(H2,24,25,26,27).
What are the key properties of N-(2,8-dioxo-5,6,7,9-tetrahydro-1H-pyrido[2,3-b]azepin-7-yl)-4-phenoxypyridine-2-carboxamide?
N-(2,8-dioxo-5,6,7,9-tetrahydro-1H-pyrido[2,3-b]azepin-7-yl)-4-phenoxypyridine-2-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,8-dioxo-5,6,7,9-tetrahydro-1H-pyrido[2,3-b]azepin-7-yl)-4-phenoxypyridine-2-carboxamide is sourced from PubChem (CID 175423540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).