N-(5-amino-4-methyl-2-pyridinyl)-6-chloro-3,4-dihydro-2H-chromene-4-carboxamide

C16H16ClN3O2 — CID 156906166

IUPACN-(5-amino-4-methyl-2-pyridinyl)-6-chloro-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCc1cc(NC(=O)C2CCOc3ccc(Cl)cc32)ncc1N
InChIInChI=1S/C16H16ClN3O2/c1-9-6-15(19-8-13(9)18)20-16(21)11-4-5-22-14-3-2-10(17)7-12(11)14/h2-3,6-8,11H,4-5,18H2,1H3,(H,19,20,21)
InChIKeyGEMPPUNWYXVOHP-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.13
Rot. Bonds2

About N-(5-amino-4-methyl-2-pyridinyl)-6-chloro-3,4-dihydro-2H-chromene-4-carboxamide

N-(5-amino-4-methyl-2-pyridinyl)-6-chloro-3,4-dihydro-2H-chromene-4-carboxamide (PubChem CID 156906166) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is N-(5-amino-4-methyl-2-pyridinyl)-6-chloro-3,4-dihydro-2H-chromene-4-carboxamide.

Molecular Properties

Compound NameN-(5-amino-4-methyl-2-pyridinyl)-6-chloro-3,4-dihydro-2H-chromene-4-carboxamide
PubChem CID156906166
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC NameN-(5-amino-4-methyl-2-pyridinyl)-6-chloro-3,4-dihydro-2H-chromene-4-carboxamide
SMILESCc1cc(NC(=O)C2CCOc3ccc(Cl)cc32)ncc1N
InChIInChI=1S/C16H16ClN3O2/c1-9-6-15(19-8-13(9)18)20-16(21)11-4-5-22-14-3-2-10(17)7-12(11)14/h2-3,6-8,11H,4-5,18H2,1H3,(H,19,20,21)
InChIKeyGEMPPUNWYXVOHP-UHFFFAOYSA-N
XLogP3.13
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methyl-2-pyridinyl)-6-chloro-3,4-dihydro-2H-chromene-4-carboxamide?
The IUPAC name of N-(5-amino-4-methyl-2-pyridinyl)-6-chloro-3,4-dihydro-2H-chromene-4-carboxamide (CID 156906166) is N-(5-amino-4-methyl-2-pyridinyl)-6-chloro-3,4-dihydro-2H-chromene-4-carboxamide.
What is the SMILES notation for N-(5-amino-4-methyl-2-pyridinyl)-6-chloro-3,4-dihydro-2H-chromene-4-carboxamide?
The canonical SMILES for N-(5-amino-4-methyl-2-pyridinyl)-6-chloro-3,4-dihydro-2H-chromene-4-carboxamide is Cc1cc(NC(=O)C2CCOc3ccc(Cl)cc32)ncc1N.
What is the InChIKey of N-(5-amino-4-methyl-2-pyridinyl)-6-chloro-3,4-dihydro-2H-chromene-4-carboxamide?
The InChIKey is GEMPPUNWYXVOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-9-6-15(19-8-13(9)18)20-16(21)11-4-5-22-14-3-2-10(17)7-12(11)14/h2-3,6-8,11H,4-5,18H2,1H3,(H,19,20,21).
What are the key properties of N-(5-amino-4-methyl-2-pyridinyl)-6-chloro-3,4-dihydro-2H-chromene-4-carboxamide?
N-(5-amino-4-methyl-2-pyridinyl)-6-chloro-3,4-dihydro-2H-chromene-4-carboxamide has a molecular weight of 317.78 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methyl-2-pyridinyl)-6-chloro-3,4-dihydro-2H-chromene-4-carboxamide is sourced from PubChem (CID 156906166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).