6-[[2-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-propylamino]ethyl-propylamino]methyl]pyridine-2-carboxylic acid

C22H38N4O3 — CID 153379605

IUPAC6-[[2-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-propylamino]ethyl-propylamino]methyl]pyridine-2-carboxylic acid
SMILESCCCN(CCN(CCC)Cc1cccc(C(=O)O)n1)CC(=O)NC(C)(C)CC
InChIInChI=1S/C22H38N4O3/c1-6-12-25(16-18-10-9-11-19(23-18)21(28)29)14-15-26(13-7-2)17-20(27)24-22(4,5)8-3/h9-11H,6-8,12-17H2,1-5H3,(H,24,27)(H,28,29)
InChIKeyWCXBYSJVRKHULR-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.01
Rot. Bonds14

About 6-[[2-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-propylamino]ethyl-propylamino]methyl]pyridine-2-carboxylic acid

6-[[2-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-propylamino]ethyl-propylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 153379605) has the molecular formula C22H38N4O3 and a molecular weight of 406.57 g/mol. Its IUPAC name is 6-[[2-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-propylamino]ethyl-propylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[2-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-propylamino]ethyl-propylamino]methyl]pyridine-2-carboxylic acid
PubChem CID153379605
Molecular FormulaC22H38N4O3
Molecular Weight406.57 g/mol
Exact Mass406.29
IUPAC Name6-[[2-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-propylamino]ethyl-propylamino]methyl]pyridine-2-carboxylic acid
SMILESCCCN(CCN(CCC)Cc1cccc(C(=O)O)n1)CC(=O)NC(C)(C)CC
InChIInChI=1S/C22H38N4O3/c1-6-12-25(16-18-10-9-11-19(23-18)21(28)29)14-15-26(13-7-2)17-20(27)24-22(4,5)8-3/h9-11H,6-8,12-17H2,1-5H3,(H,24,27)(H,28,29)
InChIKeyWCXBYSJVRKHULR-UHFFFAOYSA-N
XLogP3.01
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[[2-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-propylamino]ethyl-propylamino]methyl]pyridine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

6-[[carboxymethyl-[2-[carboxymethyl-[2-[carboxymethyl-[(6-carboxy-2-pyridinyl)methyl]amino]ethyl]amino]ethyl]amino]methyl]pyridine-2-carboxylic acid;methyl 6-[[2-[2-[(6-methoxycarbonyl-2-pyridinyl)methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]pyridine-2-carboxylate
CID 159404364
6-[[2-[[2-[[2-[2-[bis[(6-carboxy-2-pyridinyl)methyl]amino]ethylamino]-2-oxoethyl]-(carboxymethyl)amino]acetyl]amino]ethyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 122233055
6-[[butyl-[[6-[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]methyl]amino]methyl]pyridine-2-carboxylic acid
CID 101450118
6-[6-[[butyl-[[6-(6-carboxy-2-pyridinyl)-2-pyridinyl]methyl]amino]methyl]-2-pyridinyl]pyridine-2-carboxylic acid
CID 101270404
6-[[[3,5-bis[[bis[(6-carboxy-2-pyridinyl)methyl]amino]methyl]phenyl]methyl-[(6-carboxy-2-pyridinyl)methyl]amino]methyl]pyridine-2-carboxylic acid
CID 122214816
6-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 106904183
6-[[[6-[[bis[(6-carboxy-2-pyridinyl)methyl]amino]methyl]-2-pyridinyl]methyl-[[6-(1-hydroxyethenyl)-2-pyridinyl]methyl]amino]methyl]pyridine-2-carboxylic acid
CID 164992352
6-[[methyl-[2-(methylamino)ethyl]amino]methyl]pyridine-2-carboxylic acid
CID 106904193
6-(methylamino)-N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 62238570
ethane;6-(methylaminomethyl)pyridine-2-carboxylic acid
CID 166148097
6-[[butyl(cyclopropyl)amino]methyl]pyridine-2-carboxylic acid
CID 106904048
6-(2,4,4-trimethylpentan-2-ylamino)pyridine-2-carboxylic acid
CID 62240234

Frequently Asked Questions

What is the IUPAC name of 6-[[2-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-propylamino]ethyl-propylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[2-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-propylamino]ethyl-propylamino]methyl]pyridine-2-carboxylic acid (CID 153379605) is 6-[[2-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-propylamino]ethyl-propylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[2-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-propylamino]ethyl-propylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[2-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-propylamino]ethyl-propylamino]methyl]pyridine-2-carboxylic acid is CCCN(CCN(CCC)Cc1cccc(C(=O)O)n1)CC(=O)NC(C)(C)CC.
What is the InChIKey of 6-[[2-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-propylamino]ethyl-propylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is WCXBYSJVRKHULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O3/c1-6-12-25(16-18-10-9-11-19(23-18)21(28)29)14-15-26(13-7-2)17-20(27)24-22(4,5)8-3/h9-11H,6-8,12-17H2,1-5H3,(H,24,27)(H,28,29).
What are the key properties of 6-[[2-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-propylamino]ethyl-propylamino]methyl]pyridine-2-carboxylic acid?
6-[[2-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-propylamino]ethyl-propylamino]methyl]pyridine-2-carboxylic acid has a molecular weight of 406.57 g/mol, XLogP of 3.01, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-propylamino]ethyl-propylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 153379605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).