6-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide

C19H26N4O2 — CID 96531055

IUPAC6-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(NC[C@@H](c2ccccc2)N(C)C)nc1
InChIInChI=1S/C19H26N4O2/c1-23(2)17(15-7-5-4-6-8-15)14-22-18-10-9-16(13-21-18)19(24)20-11-12-25-3/h4-10,13,17H,11-12,14H2,1-3H3,(H,20,24)(H,21,22)/t17-/m0/s1
InChIKeyNJTQRPWRGIIKPF-KRWDZBQOSA-N
MW342.44 g/mol
LogP2.17
Rot. Bonds9

About 6-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide

6-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 96531055) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 6-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID96531055
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name6-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(NC[C@@H](c2ccccc2)N(C)C)nc1
InChIInChI=1S/C19H26N4O2/c1-23(2)17(15-7-5-4-6-8-15)14-22-18-10-9-16(13-21-18)19(24)20-11-12-25-3/h4-10,13,17H,11-12,14H2,1-3H3,(H,20,24)(H,21,22)/t17-/m0/s1
InChIKeyNJTQRPWRGIIKPF-KRWDZBQOSA-N
XLogP2.17
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109152988
N-(3-methoxypropyl)-6-(1-phenylethylamino)pyridine-3-carboxamide
CID 109153277
N-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109152863
6-[2-(dimethylamino)ethylamino]-N-(3,3-diphenylpropyl)pyridine-3-carboxamide
CID 11976421
N-(2-methoxyethyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109152998
N-(2-methoxyethyl)-6-(4-propan-2-ylanilino)pyridine-3-carboxamide
CID 109153038
6-[4-(dimethylamino)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153070
6-[2,6-di(propan-2-yl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153085
2-[[5-(2-methoxyethylcarbamoyl)-2-pyridinyl]amino]-4-methylpentanoic acid
CID 122062569
6-[(1-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133447591
N-(2-methoxyethyl)-6-phenoxypyridine-3-carboxamide
CID 87000425
ethyl 6-(2-phenylpropylamino)pyridine-3-carboxylate
CID 115578365

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 96531055) is 6-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCNC(=O)c1ccc(NC[C@@H](c2ccccc2)N(C)C)nc1.
What is the InChIKey of 6-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is NJTQRPWRGIIKPF-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-23(2)17(15-7-5-4-6-8-15)14-22-18-10-9-16(13-21-18)19(24)20-11-12-25-3/h4-10,13,17H,11-12,14H2,1-3H3,(H,20,24)(H,21,22)/t17-/m0/s1.
What are the key properties of 6-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
6-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.17, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 96531055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).