N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide

C18H16N4O2 — CID 94018271

IUPACN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C18H16N4O2/c23-18(13-5-6-17(20-11-13)22-9-8-19-12-22)21-15-7-10-24-16-4-2-1-3-14(15)16/h1-6,8-9,11-12,15H,7,10H2,(H,21,23)/t15-/m0/s1
InChIKeyDISHFLXPGWFXBM-HNNXBMFYSA-N
MW320.35 g/mol
LogP2.52
Rot. Bonds3

About N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide (PubChem CID 94018271) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide
PubChem CID94018271
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)c1ccc(-n2ccnc2)nc1
InChIInChI=1S/C18H16N4O2/c23-18(13-5-6-17(20-11-13)22-9-8-19-12-22)21-15-7-10-24-16-4-2-1-3-14(15)16/h1-6,8-9,11-12,15H,7,10H2,(H,21,23)/t15-/m0/s1
InChIKeyDISHFLXPGWFXBM-HNNXBMFYSA-N
XLogP2.52
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide
CID 51647219
N-(3,4-dihydro-2H-chromen-4-yl)-4-(imidazol-1-ylmethyl)benzamide
CID 47036571
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392
N-(3,4-dihydro-2H-chromen-4-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51087861
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
N-(cyclopropylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 47152532
6-(azetidin-1-yl)-N-(2,3-dihydro-1-benzofuran-3-yl)pyridine-3-carboxamide
CID 122151432
N-(3,4-dihydro-2H-chromen-4-yl)-4-(3-methylpyrazol-1-yl)benzamide
CID 47035719
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 134001794
ethane;6-imidazol-1-yl-N-methylpyridine-3-carboxamide
CID 142231779
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 170948210
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide (CID 94018271) is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide is O=C(N[C@H]1CCOc2ccccc21)c1ccc(-n2ccnc2)nc1.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide?
The InChIKey is DISHFLXPGWFXBM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-18(13-5-6-17(20-11-13)22-9-8-19-12-22)21-15-7-10-24-16-4-2-1-3-14(15)16/h1-6,8-9,11-12,15H,7,10H2,(H,21,23)/t15-/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide?
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-6-imidazol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 94018271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).