(4R)-N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

C19H26N4O3 — CID 95862542

IUPAC(4R)-N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCCCOc1ccc(CCNC(=O)[C@@H]2NCCc3[nH]cnc32)cc1OC
InChIInChI=1S/C19H26N4O3/c1-3-10-26-15-5-4-13(11-16(15)25-2)6-8-21-19(24)18-17-14(7-9-20-18)22-12-23-17/h4-5,11-12,18,20H,3,6-10H2,1-2H3,(H,21,24)(H,22,23)/t18-/m1/s1
InChIKeyKJPWCFUSBNJRIC-GOSISDBHSA-N
MW358.44 g/mol
LogP1.75
Rot. Bonds8

About (4R)-N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

(4R)-N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 95862542) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is (4R)-N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
PubChem CID95862542
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name(4R)-N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCCCOc1ccc(CCNC(=O)[C@@H]2NCCc3[nH]cnc32)cc1OC
InChIInChI=1S/C19H26N4O3/c1-3-10-26-15-5-4-13(11-16(15)25-2)6-8-21-19(24)18-17-14(7-9-20-18)22-12-23-17/h4-5,11-12,18,20H,3,6-10H2,1-2H3,(H,21,24)(H,22,23)/t18-/m1/s1
InChIKeyKJPWCFUSBNJRIC-GOSISDBHSA-N
XLogP1.75
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (4R)-N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide with MolForge

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Related Compounds

(4R)-N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95893769
N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 131946358
N-[2-(3,4-dimethoxyphenyl)ethyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640015
N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-2-phenylacetamide
CID 141386663
(4R)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95893801
N-[3-[(3-methylphenyl)methylsulfanyl]propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 70785667
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
2-[3-(3-methoxy-4-propoxyphenyl)propanoylamino]acetic acid
CID 92924035
(2R)-2-amino-N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-3-methyl-3-methylsulfanylbutanamide
CID 162629982
[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 24685903
2-cyano-N-[2-(4-methoxy-3-propoxyphenyl)ethyl]acetamide
CID 22686514
methyl 2-[2-(3-methoxy-4-propoxyphenyl)ethyl]cyclopropane-1-carboxylate
CID 83938540

Frequently Asked Questions

What is the IUPAC name of (4R)-N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of (4R)-N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (CID 95862542) is (4R)-N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for (4R)-N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for (4R)-N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is CCCOc1ccc(CCNC(=O)[C@@H]2NCCc3[nH]cnc32)cc1OC.
What is the InChIKey of (4R)-N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is KJPWCFUSBNJRIC-GOSISDBHSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-3-10-26-15-5-4-13(11-16(15)25-2)6-8-21-19(24)18-17-14(7-9-20-18)22-12-23-17/h4-5,11-12,18,20H,3,6-10H2,1-2H3,(H,21,24)(H,22,23)/t18-/m1/s1.
What are the key properties of (4R)-N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?
(4R)-N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.75, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-[2-(3-methoxy-4-propoxyphenyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 95862542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).