2-(3-aminopropoxy)-4-chloro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]benzamide

C19H24ClN3O2 — CID 118779895

IUPAC2-(3-aminopropoxy)-4-chloro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]benzamide
SMILESCc1cccc(CC(C)NC(=O)c2ccc(Cl)cc2OCCCN)n1
InChIInChI=1S/C19H24ClN3O2/c1-13-5-3-6-16(22-13)11-14(2)23-19(24)17-8-7-15(20)12-18(17)25-10-4-9-21/h3,5-8,12,14H,4,9-11,21H2,1-2H3,(H,23,24)
InChIKeyIWPSRQRDGRPWKH-UHFFFAOYSA-N
MW361.87 g/mol
LogP3.13
Rot. Bonds8

About 2-(3-aminopropoxy)-4-chloro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]benzamide

2-(3-aminopropoxy)-4-chloro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]benzamide (PubChem CID 118779895) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 2-(3-aminopropoxy)-4-chloro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-(3-aminopropoxy)-4-chloro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]benzamide
PubChem CID118779895
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name2-(3-aminopropoxy)-4-chloro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]benzamide
SMILESCc1cccc(CC(C)NC(=O)c2ccc(Cl)cc2OCCCN)n1
InChIInChI=1S/C19H24ClN3O2/c1-13-5-3-6-16(22-13)11-14(2)23-19(24)17-8-7-15(20)12-18(17)25-10-4-9-21/h3,5-8,12,14H,4,9-11,21H2,1-2H3,(H,23,24)
InChIKeyIWPSRQRDGRPWKH-UHFFFAOYSA-N
XLogP3.13
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 53.13
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

1-[(4-chlorophenyl)methyl]-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]triazole-4-carboxamide
CID 45182739
2-(2-aminoethoxy)-5-chloro-N-[cyclopropyl-(6-methyl-2-pyridinyl)methyl]benzamide
CID 118779828
4-chloro-2-[(6-methyl-2-pyridinyl)methoxy]benzenecarbothioamide
CID 114323098
1,6-dimethyl-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-4-oxopyridine-2-carboxamide
CID 125161516
5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide
CID 29149512
3-methoxy-5-[[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]carbamoyl]benzoic acid
CID 126431758
N-[(2R)-1-(3-chlorophenyl)propan-2-yl]-6-methylpyridine-2-carboxamide
CID 51728766
3-(3-aminopropoxy)-N-(2-butoxy-4-chlorophenyl)naphthalene-2-carboxamide
CID 90944531
2-(3-aminopropoxy)-3-methoxy-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzamide
CID 125170184
methyl 2-(2-aminoethoxy)-4-chlorobenzoate
CID 139394772
4-(3,6-dimethylpyrazin-2-yl)-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 119066256
4,4,4-trifluoro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]butanamide
CID 91837939

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropoxy)-4-chloro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]benzamide?
The IUPAC name of 2-(3-aminopropoxy)-4-chloro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]benzamide (CID 118779895) is 2-(3-aminopropoxy)-4-chloro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]benzamide.
What is the SMILES notation for 2-(3-aminopropoxy)-4-chloro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]benzamide?
The canonical SMILES for 2-(3-aminopropoxy)-4-chloro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]benzamide is Cc1cccc(CC(C)NC(=O)c2ccc(Cl)cc2OCCCN)n1.
What is the InChIKey of 2-(3-aminopropoxy)-4-chloro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]benzamide?
The InChIKey is IWPSRQRDGRPWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2/c1-13-5-3-6-16(22-13)11-14(2)23-19(24)17-8-7-15(20)12-18(17)25-10-4-9-21/h3,5-8,12,14H,4,9-11,21H2,1-2H3,(H,23,24).
What are the key properties of 2-(3-aminopropoxy)-4-chloro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]benzamide?
2-(3-aminopropoxy)-4-chloro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]benzamide has a molecular weight of 361.87 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropoxy)-4-chloro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]benzamide is sourced from PubChem (CID 118779895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).