N-(2-aminoethyl)-N-[(6-chloro-3-pyridinyl)methyl]-3-methoxy-4-methylbenzamide

C17H20ClN3O2 — CID 167858606

IUPACN-(2-aminoethyl)-N-[(6-chloro-3-pyridinyl)methyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)N(CCN)Cc2ccc(Cl)nc2)ccc1C
InChIInChI=1S/C17H20ClN3O2/c1-12-3-5-14(9-15(12)23-2)17(22)21(8-7-19)11-13-4-6-16(18)20-10-13/h3-6,9-10H,7-8,11,19H2,1-2H3
InChIKeyUVNXBVDZZSNVDZ-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.65
Rot. Bonds6

About N-(2-aminoethyl)-N-[(6-chloro-3-pyridinyl)methyl]-3-methoxy-4-methylbenzamide

N-(2-aminoethyl)-N-[(6-chloro-3-pyridinyl)methyl]-3-methoxy-4-methylbenzamide (PubChem CID 167858606) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-[(6-chloro-3-pyridinyl)methyl]-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-[(6-chloro-3-pyridinyl)methyl]-3-methoxy-4-methylbenzamide
PubChem CID167858606
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-(2-aminoethyl)-N-[(6-chloro-3-pyridinyl)methyl]-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)N(CCN)Cc2ccc(Cl)nc2)ccc1C
InChIInChI=1S/C17H20ClN3O2/c1-12-3-5-14(9-15(12)23-2)17(22)21(8-7-19)11-13-4-6-16(18)20-10-13/h3-6,9-10H,7-8,11,19H2,1-2H3
InChIKeyUVNXBVDZZSNVDZ-UHFFFAOYSA-N
XLogP2.65
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-N-benzyl-3-chloro-4-methylbenzamide
CID 104859578
N-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide
CID 61350677
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
N-(2-aminoethyl)-N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-methylbenzamide;2,2,2-trifluoroacetic acid
CID 143211578
(6-chloro-3-pyridinyl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 30601058
N-(5-aminopentyl)-3-methoxy-N,4-dimethylbenzamide
CID 107206573
2-[ethyl-(3-methoxy-4-methylbenzoyl)amino]acetic acid
CID 54900774
3-[ethyl-(3-methoxy-4-methylbenzoyl)amino]propanoic acid
CID 54898498
N-(2-hydroxyethyl)-3-methoxy-N-(2-methoxyethyl)-4-methylbenzamide
CID 115772556
N-(2-hydroxyethyl)-3-methoxy-4-methyl-N-(2-phenylethyl)benzamide
CID 111122063
N-(2-aminoethyl)-2-(3-methoxy-4-methylphenyl)acetamide;hydrochloride
CID 119383063
N-[(3,5-dichlorophenyl)methyl]-4-fluoro-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 168853803

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-[(6-chloro-3-pyridinyl)methyl]-3-methoxy-4-methylbenzamide?
The IUPAC name of N-(2-aminoethyl)-N-[(6-chloro-3-pyridinyl)methyl]-3-methoxy-4-methylbenzamide (CID 167858606) is N-(2-aminoethyl)-N-[(6-chloro-3-pyridinyl)methyl]-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-[(6-chloro-3-pyridinyl)methyl]-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-[(6-chloro-3-pyridinyl)methyl]-3-methoxy-4-methylbenzamide is COc1cc(C(=O)N(CCN)Cc2ccc(Cl)nc2)ccc1C.
What is the InChIKey of N-(2-aminoethyl)-N-[(6-chloro-3-pyridinyl)methyl]-3-methoxy-4-methylbenzamide?
The InChIKey is UVNXBVDZZSNVDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-12-3-5-14(9-15(12)23-2)17(22)21(8-7-19)11-13-4-6-16(18)20-10-13/h3-6,9-10H,7-8,11,19H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-[(6-chloro-3-pyridinyl)methyl]-3-methoxy-4-methylbenzamide?
N-(2-aminoethyl)-N-[(6-chloro-3-pyridinyl)methyl]-3-methoxy-4-methylbenzamide has a molecular weight of 333.82 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-[(6-chloro-3-pyridinyl)methyl]-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 167858606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).