N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide

C21H19ClN4O3 — CID 167414337

IUPACN-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
SMILESO=C(NC1COc2ccc(Cl)cc2C1)c1nc2n(c1-c1ccccn1)CCOC2
InChIInChI=1S/C21H19ClN4O3/c22-14-4-5-17-13(9-14)10-15(11-29-17)24-21(27)19-20(16-3-1-2-6-23-16)26-7-8-28-12-18(26)25-19/h1-6,9,15H,7-8,10-12H2,(H,24,27)
InChIKeyXBUXEKBPTZPVOQ-UHFFFAOYSA-N
MW410.86 g/mol
LogP2.86
Rot. Bonds3

About N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide

N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide (PubChem CID 167414337) has the molecular formula C21H19ClN4O3 and a molecular weight of 410.86 g/mol. Its IUPAC name is N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
PubChem CID167414337
Molecular FormulaC21H19ClN4O3
Molecular Weight410.86 g/mol
Exact Mass410.11
IUPAC NameN-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
SMILESO=C(NC1COc2ccc(Cl)cc2C1)c1nc2n(c1-c1ccccn1)CCOC2
InChIInChI=1S/C21H19ClN4O3/c22-14-4-5-17-13(9-14)10-15(11-29-17)24-21(27)19-20(16-3-1-2-6-23-16)26-7-8-28-12-18(26)25-19/h1-6,9,15H,7-8,10-12H2,(H,24,27)
InChIKeyXBUXEKBPTZPVOQ-UHFFFAOYSA-N
XLogP2.86
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-N-[[4-[4-(4-chlorophenoxy)-1-piperidyl]phenyl]methyl]-2-ethyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 67401709
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CID 52919035
N-(5-chloro-2,3-dihydro-4-methyl-3-benzofuranyl)-6-methoxy-5-(4-methyl-1h-imidazol-1-yl)-2-pyridinecarboxamide
CID 52919802
N-[(3R)-5-chloro-4-fluoro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide
CID 57404500
8-Chloro-1-(2-methoxyethyl)-4-[6-(4-methylpiperazin-1-yl)-3-pyridyl]benzofuro[3,2-d]pyrimidin-2-one
CID 59535755
8-Chloro-1-(2-methoxyethyl)-4-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridyl]benzofuro[3,2-d]pyrimidin-2-one
CID 59535857
6-chloro-2-ethyl-N-[[4-[4-[[4-(trifluoromethoxy)phenoxy]methyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 67403725
6-chloro-2-ethyl-N-[[4-[4-(4-fluorophenoxy)-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 68234767
N-[[4-(4-chlorophenoxy)phenyl]methyl]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 71761820
6-chloro-N-[[4-[(3S)-3-(4-chlorophenoxy)pyrrolidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 117859396
6-chloro-N-[[4-[(3R)-3-(4-chlorophenoxy)pyrrolidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 121442375
(S)-6-chloro-N-(tetrahydrofuran-3-yl)-8-(2-(2,2,2-trifluoroethoxy)phenyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 162763732

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide (CID 167414337) is N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide is O=C(NC1COc2ccc(Cl)cc2C1)c1nc2n(c1-c1ccccn1)CCOC2.
What is the InChIKey of N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is XBUXEKBPTZPVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O3/c22-14-4-5-17-13(9-14)10-15(11-29-17)24-21(27)19-20(16-3-1-2-6-23-16)26-7-8-28-12-18(26)25-19/h1-6,9,15H,7-8,10-12H2,(H,24,27).
What are the key properties of N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide?
N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 410.86 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3,4-dihydro-2H-chromen-3-yl)-3-pyridin-2-yl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 167414337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).