6-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide

C17H14ClN5O2 — CID 55561511

IUPAC6-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)nc1)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C17H14ClN5O2/c18-13-1-3-15-11(6-13)5-12(8-25-15)17(24)22-14-2-4-16(20-7-14)23-10-19-9-21-23/h1-4,6-7,9-10,12H,5,8H2,(H,22,24)
InChIKeyIFOGHISDYNGWHT-UHFFFAOYSA-N
MW355.79 g/mol
LogP2.51
Rot. Bonds3

About 6-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide

6-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 55561511) has the molecular formula C17H14ClN5O2 and a molecular weight of 355.79 g/mol. Its IUPAC name is 6-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID55561511
Molecular FormulaC17H14ClN5O2
Molecular Weight355.79 g/mol
Exact Mass355.08
IUPAC Name6-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(-n2cncn2)nc1)C1COc2ccc(Cl)cc2C1
InChIInChI=1S/C17H14ClN5O2/c18-13-1-3-15-11(6-13)5-12(8-25-15)17(24)22-14-2-4-16(20-7-14)23-10-19-9-21-23/h1-4,6-7,9-10,12H,5,8H2,(H,22,24)
InChIKeyIFOGHISDYNGWHT-UHFFFAOYSA-N
XLogP2.51
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide with MolForge

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Related Compounds

cis-(1S,2R)-2-(4-chlorophenyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]cyclopropane-1-carboxamide
CID 96501804
(3S)-6-chloro-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 27698154
6-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 24655378
(3S)-6-chloro-N-(4-pyrrolidin-1-ylphenyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 41492257
(2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25336972
1-(4-chlorobenzoyl)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]piperidine-3-carboxamide
CID 55561062
(3S)-6-chloro-N-[4-(methylcarbamoyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 9091469
(3R)-6-chloro-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 99788038
6-chloro-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 112833087
6-chloro-N-(5-methyl-1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 17463112
(3R)-6-chloro-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 41095377
(2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]oxolane-2-carboxamide
CID 51872526

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of 6-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide (CID 55561511) is 6-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide is O=C(Nc1ccc(-n2cncn2)nc1)C1COc2ccc(Cl)cc2C1.
What is the InChIKey of 6-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is IFOGHISDYNGWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O2/c18-13-1-3-15-11(6-13)5-12(8-25-15)17(24)22-14-2-4-16(20-7-14)23-10-19-9-21-23/h1-4,6-7,9-10,12H,5,8H2,(H,22,24).
What are the key properties of 6-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide?
6-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 355.79 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 55561511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).