5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide

C14H22N4O2 — CID 109101145

IUPAC5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide
SMILESCCCNC(=O)c1cncc(C(=O)NCCN(C)C)c1
InChIInChI=1S/C14H22N4O2/c1-4-5-16-13(19)11-8-12(10-15-9-11)14(20)17-6-7-18(2)3/h8-10H,4-7H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyARHCRVUTEIBSPQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.51
Rot. Bonds7

About 5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide

5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide (PubChem CID 109101145) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide
PubChem CID109101145
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide
SMILESCCCNC(=O)c1cncc(C(=O)NCCN(C)C)c1
InChIInChI=1S/C14H22N4O2/c1-4-5-16-13(19)11-8-12(10-15-9-11)14(20)17-6-7-18(2)3/h8-10H,4-7H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyARHCRVUTEIBSPQ-UHFFFAOYSA-N
XLogP0.51
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109101925
5-N-[2-(dimethylamino)ethyl]-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109104046
3-N-[2-(dimethylamino)ethyl]-5-N-(4-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109104100
3-N-[2-(dimethylamino)ethyl]-5-N-[(4-methylphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109104032
N-[2-(dimethylamino)ethyl]-5-(4-methylphenyl)pyridine-3-carboxamide
CID 46743906
5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109101177
5-(3,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109229253
N-[2-(dimethylamino)ethyl]-5-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109227823
3-N-[2-(dimethylamino)ethyl]-5-N-(2-ethyl-6-methylphenyl)pyridine-3,5-dicarboxamide
CID 109104102
3-N-[2-(dimethylamino)ethyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109104104
N-[2-(dimethylamino)ethyl]-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109229091

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide (CID 109101145) is 5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide is CCCNC(=O)c1cncc(C(=O)NCCN(C)C)c1.
What is the InChIKey of 5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide?
The InChIKey is ARHCRVUTEIBSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-5-16-13(19)11-8-12(10-15-9-11)14(20)17-6-7-18(2)3/h8-10H,4-7H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of 5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide?
5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide has a molecular weight of 278.36 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109101145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).