2-(dipropylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide

C21H29N3O2 — CID 109172735

IUPAC2-(dipropylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)NCCc2ccccc2OC)ccn1
InChIInChI=1S/C21H29N3O2/c1-4-14-24(15-5-2)20-16-18(11-12-22-20)21(25)23-13-10-17-8-6-7-9-19(17)26-3/h6-9,11-12,16H,4-5,10,13-15H2,1-3H3,(H,23,25)
InChIKeyXQLHQRSVRPNQTI-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.69
Rot. Bonds10

About 2-(dipropylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide

2-(dipropylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 109172735) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-(dipropylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(dipropylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
PubChem CID109172735
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name2-(dipropylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)NCCc2ccccc2OC)ccn1
InChIInChI=1S/C21H29N3O2/c1-4-14-24(15-5-2)20-16-18(11-12-22-20)21(25)23-13-10-17-8-6-7-9-19(17)26-3/h6-9,11-12,16H,4-5,10,13-15H2,1-3H3,(H,23,25)
InChIKeyXQLHQRSVRPNQTI-UHFFFAOYSA-N
XLogP3.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 106262018
2-N,2-N-diethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109088102
1-N-[2-(2-methoxyphenyl)ethyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109055465
N-[3-(dimethylamino)propyl]-2-(dipropylamino)pyridine-4-carboxamide
CID 109168202
2-[4-(dimethylamino)anilino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172767
N-[2-(2-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172465
N-[2-(2-methoxyphenyl)ethyl]quinoxaline-6-carboxamide
CID 110690530
3,4-diethoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115214
N-[2-(2-methoxyphenyl)ethyl]-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167175
4-N-benzyl-2-N-[2-(2-methoxyphenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109085295
2-(diethylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109260197
2-(2,6-dimethylanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172748

Frequently Asked Questions

What is the IUPAC name of 2-(dipropylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(dipropylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide (CID 109172735) is 2-(dipropylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(dipropylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(dipropylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide is CCCN(CCC)c1cc(C(=O)NCCc2ccccc2OC)ccn1.
What is the InChIKey of 2-(dipropylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is XQLHQRSVRPNQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-4-14-24(15-5-2)20-16-18(11-12-22-20)21(25)23-13-10-17-8-6-7-9-19(17)26-3/h6-9,11-12,16H,4-5,10,13-15H2,1-3H3,(H,23,25).
What are the key properties of 2-(dipropylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide?
2-(dipropylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dipropylamino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 109172735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).