N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide

C21H24N4O3 — CID 72855610

IUPACN-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide
SMILESCOc1cccc(-c2nc3c([nH]2)CN(CCC(=O)NCc2ccco2)CC3)c1
InChIInChI=1S/C21H24N4O3/c1-27-16-5-2-4-15(12-16)21-23-18-7-9-25(14-19(18)24-21)10-8-20(26)22-13-17-6-3-11-28-17/h2-6,11-12H,7-10,13-14H2,1H3,(H,22,26)(H,23,24)
InChIKeyORRZZGIHSUZYAY-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.74
Rot. Bonds7

About N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide

N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide (PubChem CID 72855610) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide
PubChem CID72855610
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide
SMILESCOc1cccc(-c2nc3c([nH]2)CN(CCC(=O)NCc2ccco2)CC3)c1
InChIInChI=1S/C21H24N4O3/c1-27-16-5-2-4-15(12-16)21-23-18-7-9-25(14-19(18)24-21)10-8-20(26)22-13-17-6-3-11-28-17/h2-6,11-12H,7-10,13-14H2,1H3,(H,22,26)(H,23,24)
InChIKeyORRZZGIHSUZYAY-UHFFFAOYSA-N
XLogP2.74
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethylsulfonyl-2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 72922947
2-[[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 72909849
2-(3-methoxyphenyl)-5-[[(2S)-oxan-2-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 97444031
2-(3-methoxyphenyl)-5-pyridin-4-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 72866371
[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 72849051
N-cyclohexyl-2-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide
CID 72844258
N-(furan-2-ylmethyl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35227342
(2S)-2-hydroxy-1-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-phenylpropan-1-one
CID 72844581
N-(furan-2-ylmethyl)-4-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-4-oxobutanamide
CID 29147936
3-(azepan-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 109018473
N-(furan-2-ylmethyl)-3-piperidin-1-ylpropanamide
CID 110688280
[4-(furan-2-ylmethyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 19515033

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide (CID 72855610) is N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide is COc1cccc(-c2nc3c([nH]2)CN(CCC(=O)NCc2ccco2)CC3)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide?
The InChIKey is ORRZZGIHSUZYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-27-16-5-2-4-15(12-16)21-23-18-7-9-25(14-19(18)24-21)10-8-20(26)22-13-17-6-3-11-28-17/h2-6,11-12H,7-10,13-14H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide?
N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide has a molecular weight of 380.45 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide is sourced from PubChem (CID 72855610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).