2-[2-(dimethylamino)ethyl-propylcarbamoyl]pyridine-3-carboxylic acid

C14H21N3O3 — CID 63614113

IUPAC2-[2-(dimethylamino)ethyl-propylcarbamoyl]pyridine-3-carboxylic acid
SMILESCCCN(CCN(C)C)C(=O)c1ncccc1C(=O)O
InChIInChI=1S/C14H21N3O3/c1-4-8-17(10-9-16(2)3)13(18)12-11(14(19)20)6-5-7-15-12/h5-7H,4,8-10H2,1-3H3,(H,19,20)
InChIKeyNRLITNTXZVDNER-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.19
Rot. Bonds7

About 2-[2-(dimethylamino)ethyl-propylcarbamoyl]pyridine-3-carboxylic acid

2-[2-(dimethylamino)ethyl-propylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 63614113) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-propylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-propylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID63614113
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-[2-(dimethylamino)ethyl-propylcarbamoyl]pyridine-3-carboxylic acid
SMILESCCCN(CCN(C)C)C(=O)c1ncccc1C(=O)O
InChIInChI=1S/C14H21N3O3/c1-4-8-17(10-9-16(2)3)13(18)12-11(14(19)20)6-5-7-15-12/h5-7H,4,8-10H2,1-3H3,(H,19,20)
InChIKeyNRLITNTXZVDNER-UHFFFAOYSA-N
XLogP1.19
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(dimethylamino)ethyl]-N-propylpyridine-3-carboxamide
CID 62161459
3-amino-N-ethyl-N-propylpyridine-2-carboxamide
CID 104741010
2-[[3-(diethylamino)-3-oxopropyl]carbamoyl]pyridine-3-carboxylic acid
CID 63616068
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]pyridine-3-carboxylic acid
CID 63616260
2-[4-(dimethylamino)butan-2-ylcarbamoyl]pyridine-3-carboxylic acid
CID 63615434
2-[methyl(pyridin-2-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63616222
2-ethoxy-N,N-dipropylpyridine-3-carboxamide
CID 78836443
2-(pentylcarbamoyl)pyridine-3-carboxylic acid
CID 63614748
2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614269
pyridine-2,3-dicarboxylic acid
CID 1066
N-[2-(dimethylamino)ethyl]-2-propanoylpyridine-3-carboxamide
CID 143839952
pyridine-2,3-dicarboxylic acid;hydrofluoride
CID 159031685

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-propylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-propylcarbamoyl]pyridine-3-carboxylic acid (CID 63614113) is 2-[2-(dimethylamino)ethyl-propylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-propylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-propylcarbamoyl]pyridine-3-carboxylic acid is CCCN(CCN(C)C)C(=O)c1ncccc1C(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-propylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is NRLITNTXZVDNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-4-8-17(10-9-16(2)3)13(18)12-11(14(19)20)6-5-7-15-12/h5-7H,4,8-10H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-(dimethylamino)ethyl-propylcarbamoyl]pyridine-3-carboxylic acid?
2-[2-(dimethylamino)ethyl-propylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-propylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 63614113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).