N-[2-(dimethylamino)ethyl]-5-(3-methoxyanilino)pyridine-2-carboxamide

C17H22N4O2 — CID 109185392

IUPACN-[2-(dimethylamino)ethyl]-5-(3-methoxyanilino)pyridine-2-carboxamide
SMILESCOc1cccc(Nc2ccc(C(=O)NCCN(C)C)nc2)c1
InChIInChI=1S/C17H22N4O2/c1-21(2)10-9-18-17(22)16-8-7-14(12-19-16)20-13-5-4-6-15(11-13)23-3/h4-8,11-12,20H,9-10H2,1-3H3,(H,18,22)
InChIKeyHKZJGXHLGCQGOV-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.13
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-5-(3-methoxyanilino)pyridine-2-carboxamide

N-[2-(dimethylamino)ethyl]-5-(3-methoxyanilino)pyridine-2-carboxamide (PubChem CID 109185392) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-(3-methoxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-(3-methoxyanilino)pyridine-2-carboxamide
PubChem CID109185392
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[2-(dimethylamino)ethyl]-5-(3-methoxyanilino)pyridine-2-carboxamide
SMILESCOc1cccc(Nc2ccc(C(=O)NCCN(C)C)nc2)c1
InChIInChI=1S/C17H22N4O2/c1-21(2)10-9-18-17(22)16-8-7-14(12-19-16)20-13-5-4-6-15(11-13)23-3/h4-8,11-12,20H,9-10H2,1-3H3,(H,18,22)
InChIKeyHKZJGXHLGCQGOV-UHFFFAOYSA-N
XLogP2.13
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-bromoanilino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109185426
5-(3-methoxyanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195545
5-(3-methoxyanilino)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191536
5-(3-acetamidoanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199786
5-(3,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192661
5-(3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192640
5-(3-chloro-4-methylanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199489
5-(3-fluoroanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199794
ethyl 4-[[6-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109185434
1-N-[2-(dimethylamino)ethyl]-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045806
5-(3-acetylanilino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192774
5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109186013

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-(3-methoxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-(3-methoxyanilino)pyridine-2-carboxamide (CID 109185392) is N-[2-(dimethylamino)ethyl]-5-(3-methoxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-(3-methoxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-(3-methoxyanilino)pyridine-2-carboxamide is COc1cccc(Nc2ccc(C(=O)NCCN(C)C)nc2)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-(3-methoxyanilino)pyridine-2-carboxamide?
The InChIKey is HKZJGXHLGCQGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-21(2)10-9-18-17(22)16-8-7-14(12-19-16)20-13-5-4-6-15(11-13)23-3/h4-8,11-12,20H,9-10H2,1-3H3,(H,18,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-(3-methoxyanilino)pyridine-2-carboxamide?
N-[2-(dimethylamino)ethyl]-5-(3-methoxyanilino)pyridine-2-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-(3-methoxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109185392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).