6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylic acid

C17H25N5O3 — CID 59785816

IUPAC6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCN1CC[C@@H](NC(=O)NC2CCN(c3ccc(C(=O)O)cn3)CC2)C1
InChIInChI=1S/C17H25N5O3/c1-21-7-4-14(11-21)20-17(25)19-13-5-8-22(9-6-13)15-3-2-12(10-18-15)16(23)24/h2-3,10,13-14H,4-9,11H2,1H3,(H,23,24)(H2,19,20,25)/t14-/m1/s1
InChIKeyCUGXZLYKULONAW-CQSZACIVSA-N
MW347.42 g/mol
LogP0.75
Rot. Bonds4

About 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylic acid

6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 59785816) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylic acid
PubChem CID59785816
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylic acid
SMILESCN1CC[C@@H](NC(=O)NC2CCN(c3ccc(C(=O)O)cn3)CC2)C1
InChIInChI=1S/C17H25N5O3/c1-21-7-4-14(11-21)20-17(25)19-13-5-8-22(9-6-13)15-3-2-12(10-18-15)16(23)24/h2-3,10,13-14H,4-9,11H2,1H3,(H,23,24)(H2,19,20,25)/t14-/m1/s1
InChIKeyCUGXZLYKULONAW-CQSZACIVSA-N
XLogP0.75
TPSA97.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylic acid (CID 59785816) is 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylic acid is CN1CC[C@@H](NC(=O)NC2CCN(c3ccc(C(=O)O)cn3)CC2)C1.
What is the InChIKey of 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is CUGXZLYKULONAW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-21-7-4-14(11-21)20-17(25)19-13-5-8-22(9-6-13)15-3-2-12(10-18-15)16(23)24/h2-3,10,13-14H,4-9,11H2,1H3,(H,23,24)(H2,19,20,25)/t14-/m1/s1.
What are the key properties of 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylic acid?
6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 347.42 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[(3R)-1-methylpyrrolidin-3-yl]carbamoylamino]piperidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 59785816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).