N-[2-(2-methyl-3-pyridinyl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide

C18H20N2O2 — CID 136567978

IUPACN-[2-(2-methyl-3-pyridinyl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCc1ncccc1CCNC(=O)C1CCc2ccccc2O1
InChIInChI=1S/C18H20N2O2/c1-13-14(6-4-11-19-13)10-12-20-18(21)17-9-8-15-5-2-3-7-16(15)22-17/h2-7,11,17H,8-10,12H2,1H3,(H,20,21)
InChIKeyMJOOIYFYPKUXRC-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.44
Rot. Bonds4

About N-[2-(2-methyl-3-pyridinyl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide

N-[2-(2-methyl-3-pyridinyl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 136567978) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[2-(2-methyl-3-pyridinyl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-3-pyridinyl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID136567978
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[2-(2-methyl-3-pyridinyl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCc1ncccc1CCNC(=O)C1CCc2ccccc2O1
InChIInChI=1S/C18H20N2O2/c1-13-14(6-4-11-19-13)10-12-20-18(21)17-9-8-15-5-2-3-7-16(15)22-17/h2-7,11,17H,8-10,12H2,1H3,(H,20,21)
InChIKeyMJOOIYFYPKUXRC-UHFFFAOYSA-N
XLogP2.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 99960771
N-(3-pyridin-2-ylpropyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 90649003
N-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 90651021
N-[2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 91796163
(2S)-N-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 136756310
N-(2-pyridin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47153707
N-[(2-ethoxy-3-pyridinyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 134004650
1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one
CID 158725223
N-[[2-(aminomethyl)phenyl]methyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 166298512
(2R)-N-[2-(3-amino-1,2,4-oxadiazol-5-yl)ethyl]-6-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 129345291
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 121196035
N-[2,3-bis(4-chlorophenyl)butyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 69456114

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-3-pyridinyl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of N-[2-(2-methyl-3-pyridinyl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 136567978) is N-[2-(2-methyl-3-pyridinyl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-3-pyridinyl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for N-[2-(2-methyl-3-pyridinyl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide is Cc1ncccc1CCNC(=O)C1CCc2ccccc2O1.
What is the InChIKey of N-[2-(2-methyl-3-pyridinyl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is MJOOIYFYPKUXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13-14(6-4-11-19-13)10-12-20-18(21)17-9-8-15-5-2-3-7-16(15)22-17/h2-7,11,17H,8-10,12H2,1H3,(H,20,21).
What are the key properties of N-[2-(2-methyl-3-pyridinyl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide?
N-[2-(2-methyl-3-pyridinyl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-3-pyridinyl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 136567978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).