N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

C20H20N4O3 — CID 56718456

IUPACN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)NCc1cccnc1-n1ccnc1)C2
InChIInChI=1S/C20H20N4O3/c1-26-17-6-2-4-14-10-16(12-27-18(14)17)20(25)23-11-15-5-3-7-22-19(15)24-9-8-21-13-24/h2-9,13,16H,10-12H2,1H3,(H,23,25)
InChIKeyPPWZGBIQFHOCIV-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.14
Rot. Bonds5

About N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide

N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (PubChem CID 56718456) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
PubChem CID56718456
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[(2-imidazol-1-yl-3-pyridinyl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
SMILESCOc1cccc2c1OCC(C(=O)NCc1cccnc1-n1ccnc1)C2
InChIInChI=1S/C20H20N4O3/c1-26-17-6-2-4-14-10-16(12-27-18(14)17)20(25)23-11-15-5-3-7-22-19(15)24-9-8-21-13-24/h2-9,13,16H,10-12H2,1H3,(H,23,25)
InChIKeyPPWZGBIQFHOCIV-UHFFFAOYSA-N
XLogP2.14
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97110056
8-methoxy-N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 72927823
(3R)-8-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97195271
(3R)-8-methoxy-N-(2-pyridin-2-ylsulfanylethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97148603
(3S)-8-methoxy-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 97136197
8-methoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 74244774
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 45248847
(3R)-8-methoxy-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95123510
(3S)-8-methoxy-N-[(4-propan-2-ylthiadiazol-5-yl)methyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 95123511
(3R)-N-[(1,2-dimethylbenzimidazol-5-yl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97113078
(3R)-N-[2-(1H-imidazol-5-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97142689
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 72917523

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The IUPAC name of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide (CID 56718456) is N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is COc1cccc2c1OCC(C(=O)NCc1cccnc1-n1ccnc1)C2.
What is the InChIKey of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
The InChIKey is PPWZGBIQFHOCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-17-6-2-4-14-10-16(12-27-18(14)17)20(25)23-11-15-5-3-7-22-19(15)24-9-8-21-13-24/h2-9,13,16H,10-12H2,1H3,(H,23,25).
What are the key properties of N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide?
N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-yl-3-pyridinyl)methyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide is sourced from PubChem (CID 56718456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).