N-(5-chloro-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide

C16H15ClN2O2 — CID 126783549

IUPACN-(5-chloro-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCN(C(=O)C1CCOc2ccccc21)c1ccc(Cl)cn1
InChIInChI=1S/C16H15ClN2O2/c1-19(15-7-6-11(17)10-18-15)16(20)13-8-9-21-14-5-3-2-4-12(13)14/h2-7,10,13H,8-9H2,1H3
InChIKeyBISPQAVTETUCQL-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.26
Rot. Bonds2

About N-(5-chloro-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide

N-(5-chloro-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 126783549) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID126783549
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN-(5-chloro-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCN(C(=O)C1CCOc2ccccc21)c1ccc(Cl)cn1
InChIInChI=1S/C16H15ClN2O2/c1-19(15-7-6-11(17)10-18-15)16(20)13-8-9-21-14-5-3-2-4-12(13)14/h2-7,10,13H,8-9H2,1H3
InChIKeyBISPQAVTETUCQL-UHFFFAOYSA-N
XLogP3.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 64511060
N-(2-amino-6-chlorophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710976
1-(3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropan-1-one
CID 63709569
(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 63762769
N-(2-chloroethyl)-N-propyl-3,4-dihydro-2H-chromene-4-carboxamide
CID 63709229
(2S)-3-[[(4R)-3,4-dihydro-2H-chromene-4-carbonyl]-methylamino]-2-methylpropanoic acid
CID 124556443
2-[3,4-dihydro-2H-chromene-4-carbonyl(ethyl)amino]acetic acid
CID 63709185
[(3R)-3-aminopyrrolidin-1-yl]-(3,4-dihydro-2H-chromen-4-yl)methanone
CID 81468969
N-[(2S)-2-hydroxypropyl]-3,4-dihydro-2H-chromene-4-carboxamide
CID 83030362
1-(3,4-dihydro-2H-chromen-4-yl)-3-[6-(dimethylamino)-3-pyridinyl]urea
CID 51082005
N-(2-aminoethyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 63710623
3,4-dihydro-2H-chromen-4-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63710835

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide (CID 126783549) is N-(5-chloro-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide is CN(C(=O)C1CCOc2ccccc21)c1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is BISPQAVTETUCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-19(15-7-6-11(17)10-18-15)16(20)13-8-9-21-14-5-3-2-4-12(13)14/h2-7,10,13H,8-9H2,1H3.
What are the key properties of N-(5-chloro-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide?
N-(5-chloro-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 302.76 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 126783549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).