N-(2-imidazol-1-ylpyrimidin-5-yl)-3,4-dihydro-2H-chromene-2-carboxamide

C17H15N5O2 — CID 122300947

IUPACN-(2-imidazol-1-ylpyrimidin-5-yl)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(Nc1cnc(-n2ccnc2)nc1)C1CCc2ccccc2O1
InChIInChI=1S/C17H15N5O2/c23-16(15-6-5-12-3-1-2-4-14(12)24-15)21-13-9-19-17(20-10-13)22-8-7-18-11-22/h1-4,7-11,15H,5-6H2,(H,21,23)
InChIKeyWAKBBBFHWFDGEF-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.99
Rot. Bonds3

About N-(2-imidazol-1-ylpyrimidin-5-yl)-3,4-dihydro-2H-chromene-2-carboxamide

N-(2-imidazol-1-ylpyrimidin-5-yl)-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 122300947) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-(2-imidazol-1-ylpyrimidin-5-yl)-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylpyrimidin-5-yl)-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID122300947
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC NameN-(2-imidazol-1-ylpyrimidin-5-yl)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(Nc1cnc(-n2ccnc2)nc1)C1CCc2ccccc2O1
InChIInChI=1S/C17H15N5O2/c23-16(15-6-5-12-3-1-2-4-14(12)24-15)21-13-9-19-17(20-10-13)22-8-7-18-11-22/h1-4,7-11,15H,5-6H2,(H,21,23)
InChIKeyWAKBBBFHWFDGEF-UHFFFAOYSA-N
XLogP1.99
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 122303117
N-(2-imidazol-1-ylpyrimidin-5-yl)cyclohexanecarboxamide
CID 121112570
(2R)-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 6923439
(2R)-N-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25336972
N-(2-imidazol-1-ylpyrimidin-5-yl)-2-phenoxypropanamide
CID 121112602
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-imidazol-1-ylpyrimidin-5-yl)indolizine-2-carboxamide
CID 122300920
(2S)-N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 122287406
N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 122299123
3,4-dihydro-2H-chromen-2-yl-(3-pyrazol-1-ylazetidin-1-yl)methanone
CID 126900108
N-[2-(2-methyl-3-pyridinyl)ethyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 136567978

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylpyrimidin-5-yl)-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylpyrimidin-5-yl)-3,4-dihydro-2H-chromene-2-carboxamide (CID 122300947) is N-(2-imidazol-1-ylpyrimidin-5-yl)-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylpyrimidin-5-yl)-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylpyrimidin-5-yl)-3,4-dihydro-2H-chromene-2-carboxamide is O=C(Nc1cnc(-n2ccnc2)nc1)C1CCc2ccccc2O1.
What is the InChIKey of N-(2-imidazol-1-ylpyrimidin-5-yl)-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is WAKBBBFHWFDGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c23-16(15-6-5-12-3-1-2-4-14(12)24-15)21-13-9-19-17(20-10-13)22-8-7-18-11-22/h1-4,7-11,15H,5-6H2,(H,21,23).
What are the key properties of N-(2-imidazol-1-ylpyrimidin-5-yl)-3,4-dihydro-2H-chromene-2-carboxamide?
N-(2-imidazol-1-ylpyrimidin-5-yl)-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylpyrimidin-5-yl)-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 122300947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).