2,4,6-trimethyl-5-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxylic acid

C19H24N4O2 — CID 134499996

IUPAC2,4,6-trimethyl-5-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxylic acid
SMILESCc1nc(C)c(C(=O)O)c(C)c1NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H24N4O2/c1-12-17(19(24)25)13(2)21-14(3)18(12)22-15-7-10-23(11-8-15)16-6-4-5-9-20-16/h4-6,9,15,22H,7-8,10-11H2,1-3H3,(H,24,25)
InChIKeyZMAAPIHAVHWOTQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.18
Rot. Bonds4

About 2,4,6-trimethyl-5-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxylic acid

2,4,6-trimethyl-5-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxylic acid (PubChem CID 134499996) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2,4,6-trimethyl-5-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,4,6-trimethyl-5-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxylic acid
PubChem CID134499996
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2,4,6-trimethyl-5-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxylic acid
SMILESCc1nc(C)c(C(=O)O)c(C)c1NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H24N4O2/c1-12-17(19(24)25)13(2)21-14(3)18(12)22-15-7-10-23(11-8-15)16-6-4-5-9-20-16/h4-6,9,15,22H,7-8,10-11H2,1-3H3,(H,24,25)
InChIKeyZMAAPIHAVHWOTQ-UHFFFAOYSA-N
XLogP3.18
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)quinolin-4-amine
CID 133451671
2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid
CID 69019671
2,2-difluoro-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 103514862
N-(3-chloro-2-methylphenyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43758553
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
3-[[1-(3-chloro-2-pyridinyl)piperidin-4-yl]amino]-2,4,6-trimethylbenzoic acid
CID 134493185
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
3-oxo-N-(1-pyridin-2-ylpiperidin-4-yl)butanamide
CID 61250819
N,N-dimethyl-2-[(1-pyridin-2-ylpiperidin-4-yl)amino]propanamide
CID 43778088
1-(1-pyridin-2-ylpiperidin-4-yl)ethanone
CID 63845661
ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 91102074

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-5-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2,4,6-trimethyl-5-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxylic acid (CID 134499996) is 2,4,6-trimethyl-5-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2,4,6-trimethyl-5-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2,4,6-trimethyl-5-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxylic acid is Cc1nc(C)c(C(=O)O)c(C)c1NC1CCN(c2ccccn2)CC1.
What is the InChIKey of 2,4,6-trimethyl-5-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxylic acid?
The InChIKey is ZMAAPIHAVHWOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12-17(19(24)25)13(2)21-14(3)18(12)22-15-7-10-23(11-8-15)16-6-4-5-9-20-16/h4-6,9,15,22H,7-8,10-11H2,1-3H3,(H,24,25).
What are the key properties of 2,4,6-trimethyl-5-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxylic acid?
2,4,6-trimethyl-5-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxylic acid has a molecular weight of 340.43 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-5-[(1-pyridin-2-ylpiperidin-4-yl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 134499996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).