3-(3-aminopropoxy)-4-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide

C19H25N3O2 — CID 126452473

IUPAC3-(3-aminopropoxy)-4-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2ccc(C)c(OCCCN)c2)cn1
InChIInChI=1S/C19H25N3O2/c1-13-5-7-16(11-18(13)24-10-4-9-20)19(23)22-15(3)17-8-6-14(2)21-12-17/h5-8,11-12,15H,4,9-10,20H2,1-3H3,(H,22,23)/t15-/m1/s1
InChIKeyYZEFWXZMVXHKEA-OAHLLOKOSA-N
MW327.43 g/mol
LogP2.92
Rot. Bonds7

About 3-(3-aminopropoxy)-4-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide

3-(3-aminopropoxy)-4-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide (PubChem CID 126452473) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-(3-aminopropoxy)-4-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(3-aminopropoxy)-4-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide
PubChem CID126452473
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-(3-aminopropoxy)-4-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2ccc(C)c(OCCCN)c2)cn1
InChIInChI=1S/C19H25N3O2/c1-13-5-7-16(11-18(13)24-10-4-9-20)19(23)22-15(3)17-8-6-14(2)21-12-17/h5-8,11-12,15H,4,9-10,20H2,1-3H3,(H,22,23)/t15-/m1/s1
InChIKeyYZEFWXZMVXHKEA-OAHLLOKOSA-N
XLogP2.92
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminopropoxy)-3-methoxy-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 118787115
3-(3-aminopropoxy)-N-[(4,6-dimethylpyrimidin-2-yl)methyl]-4-methylbenzamide
CID 118791993
3-methoxy-4-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 18163096
3-(2-aminoethoxy)-N-[(1R)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-4-methylbenzamide
CID 126437818
N-[1-(4-chlorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 134013068
3-(dimethylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 91760968
4-(ethylsulfonylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 135120365
3-methoxy-4-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856038
2-methoxy-5-methyl-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 91790353
4-chloro-3-[1-(6-methyl-3-pyridinyl)ethylcarbamoylamino]-N-propan-2-ylbenzamide
CID 74251520
3-(3-aminopropoxy)-4-methoxy-N-[(1R)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 125162212
3-methoxy-4-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 18160597

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropoxy)-4-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide?
The IUPAC name of 3-(3-aminopropoxy)-4-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide (CID 126452473) is 3-(3-aminopropoxy)-4-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide.
What is the SMILES notation for 3-(3-aminopropoxy)-4-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide?
The canonical SMILES for 3-(3-aminopropoxy)-4-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide is Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(OCCCN)c2)cn1.
What is the InChIKey of 3-(3-aminopropoxy)-4-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide?
The InChIKey is YZEFWXZMVXHKEA-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13-5-7-16(11-18(13)24-10-4-9-20)19(23)22-15(3)17-8-6-14(2)21-12-17/h5-8,11-12,15H,4,9-10,20H2,1-3H3,(H,22,23)/t15-/m1/s1.
What are the key properties of 3-(3-aminopropoxy)-4-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide?
3-(3-aminopropoxy)-4-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide has a molecular weight of 327.43 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropoxy)-4-methyl-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]benzamide is sourced from PubChem (CID 126452473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).