(2S)-6-chloro-4-oxo-N-pyridin-4-yl-2,3-dihydrochromene-2-carboxamide

C15H11ClN2O3 — CID 26415416

IUPAC(2S)-6-chloro-4-oxo-N-pyridin-4-yl-2,3-dihydrochromene-2-carboxamide
SMILESO=C1C[C@@H](C(=O)Nc2ccncc2)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H11ClN2O3/c16-9-1-2-13-11(7-9)12(19)8-14(21-13)15(20)18-10-3-5-17-6-4-10/h1-7,14H,8H2,(H,17,18,20)/t14-/m0/s1
InChIKeyVBXPCGFGEYODQW-AWEZNQCLSA-N
MW302.72 g/mol
LogP2.71
Rot. Bonds2

About (2S)-6-chloro-4-oxo-N-pyridin-4-yl-2,3-dihydrochromene-2-carboxamide

(2S)-6-chloro-4-oxo-N-pyridin-4-yl-2,3-dihydrochromene-2-carboxamide (PubChem CID 26415416) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is (2S)-6-chloro-4-oxo-N-pyridin-4-yl-2,3-dihydrochromene-2-carboxamide.

Molecular Properties

Compound Name(2S)-6-chloro-4-oxo-N-pyridin-4-yl-2,3-dihydrochromene-2-carboxamide
PubChem CID26415416
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name(2S)-6-chloro-4-oxo-N-pyridin-4-yl-2,3-dihydrochromene-2-carboxamide
SMILESO=C1C[C@@H](C(=O)Nc2ccncc2)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H11ClN2O3/c16-9-1-2-13-11(7-9)12(19)8-14(21-13)15(20)18-10-3-5-17-6-4-10/h1-7,14H,8H2,(H,17,18,20)/t14-/m0/s1
InChIKeyVBXPCGFGEYODQW-AWEZNQCLSA-N
XLogP2.71
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-6-chloro-4-oxo-2,3-dihydrochromene-2-carboxylic acid
CID 42220830
6-chloro-N-[4-(methylamino)-1-bicyclo[2.1.1]hexanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 155716953
5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089364
(2R)-5-chloro-N-(4-cyanophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 26689499
5-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 46652079
6-chloro-N-[(2S,3S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 166304511
5-chloro-N-[4-(difluoromethoxy)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43013576
[(2S)-4-[(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]carbamic acid
CID 155256863
5-chloro-N-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42893127
5-chloro-N-[4-(ethylsulfonylamino)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55960335
N-(4-chlorophenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 3921971
5-chloro-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17404054

Frequently Asked Questions

What is the IUPAC name of (2S)-6-chloro-4-oxo-N-pyridin-4-yl-2,3-dihydrochromene-2-carboxamide?
The IUPAC name of (2S)-6-chloro-4-oxo-N-pyridin-4-yl-2,3-dihydrochromene-2-carboxamide (CID 26415416) is (2S)-6-chloro-4-oxo-N-pyridin-4-yl-2,3-dihydrochromene-2-carboxamide.
What is the SMILES notation for (2S)-6-chloro-4-oxo-N-pyridin-4-yl-2,3-dihydrochromene-2-carboxamide?
The canonical SMILES for (2S)-6-chloro-4-oxo-N-pyridin-4-yl-2,3-dihydrochromene-2-carboxamide is O=C1C[C@@H](C(=O)Nc2ccncc2)Oc2ccc(Cl)cc21.
What is the InChIKey of (2S)-6-chloro-4-oxo-N-pyridin-4-yl-2,3-dihydrochromene-2-carboxamide?
The InChIKey is VBXPCGFGEYODQW-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c16-9-1-2-13-11(7-9)12(19)8-14(21-13)15(20)18-10-3-5-17-6-4-10/h1-7,14H,8H2,(H,17,18,20)/t14-/m0/s1.
What are the key properties of (2S)-6-chloro-4-oxo-N-pyridin-4-yl-2,3-dihydrochromene-2-carboxamide?
(2S)-6-chloro-4-oxo-N-pyridin-4-yl-2,3-dihydrochromene-2-carboxamide has a molecular weight of 302.72 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-chloro-4-oxo-N-pyridin-4-yl-2,3-dihydrochromene-2-carboxamide is sourced from PubChem (CID 26415416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).