3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid

C22H23FN8O3 — CID 140591032

IUPAC3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid
SMILESNc1cc(F)c(-c2ccc(N)c(C(=O)Nc3cnccc3N3CCCC(N)C3)n2)nc1C(=O)O
InChIInChI=1S/C22H23FN8O3/c23-12-8-14(26)20(22(33)34)30-18(12)15-4-3-13(25)19(28-15)21(32)29-16-9-27-6-5-17(16)31-7-1-2-11(24)10-31/h3-6,8-9,11H,1-2,7,10,24-26H2,(H,29,32)(H,33,34)
InChIKeyKLMDXCWZWQZWOT-UHFFFAOYSA-N
MW466.48 g/mol
LogP1.72
Rot. Bonds5

About 3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid

3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid (PubChem CID 140591032) has the molecular formula C22H23FN8O3 and a molecular weight of 466.48 g/mol. Its IUPAC name is 3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid
PubChem CID140591032
Molecular FormulaC22H23FN8O3
Molecular Weight466.48 g/mol
Exact Mass466.19
IUPAC Name3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid
SMILESNc1cc(F)c(-c2ccc(N)c(C(=O)Nc3cnccc3N3CCCC(N)C3)n2)nc1C(=O)O
InChIInChI=1S/C22H23FN8O3/c23-12-8-14(26)20(22(33)34)30-18(12)15-4-3-13(25)19(28-15)21(32)29-16-9-27-6-5-17(16)31-7-1-2-11(24)10-31/h3-6,8-9,11H,1-2,7,10,24-26H2,(H,29,32)(H,33,34)
InChIKeyKLMDXCWZWQZWOT-UHFFFAOYSA-N
XLogP1.72
TPSA186.37 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.48
LogP ≤ 51.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze 3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-pyridin-2-ylpyridine-2-carboxamide
CID 69090096
3-Amino-5-fluoro-6-(3-fluoro-2-pyridinyl)pyridine-2-carboxylic acid
CID 68161560
3-Amino-6-(5-fluoro-2-pyridinyl)pyridine-2-carboxylic acid
CID 68161717
Methyl 3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-pyridinyl]-5-fluoropyridine-2-carboxylate
CID 68162004
Methyl 3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-3-fluoro-2-pyridinyl]-5-fluoropyridine-2-carboxylate
CID 68162852
3-Amino-6-(3-fluoro-2-pyridinyl)pyridine-2-carboxylic acid
CID 68162971
3-amino-6-(3-fluoro-2-pyridinyl)-N-[4-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]pyridine-2-carboxamide
CID 68184699
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(3-fluoro-2-pyridinyl)pyridine-2-carboxamide
CID 68184710
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(5-fluoro-6-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 68184717
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(3-fluoro-6-methyl-2-pyridinyl)pyridine-2-carboxamide
CID 68184718
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(6-fluoro-2-pyridinyl)pyridine-2-carboxamide
CID 68184719
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl]-6-[6-(trifluoromethyl)pyridin-2-yl]pyridine-2-carboxamide
CID 68184726

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid?
The IUPAC name of 3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid (CID 140591032) is 3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid is Nc1cc(F)c(-c2ccc(N)c(C(=O)Nc3cnccc3N3CCCC(N)C3)n2)nc1C(=O)O.
What is the InChIKey of 3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid?
The InChIKey is KLMDXCWZWQZWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN8O3/c23-12-8-14(26)20(22(33)34)30-18(12)15-4-3-13(25)19(28-15)21(32)29-16-9-27-6-5-17(16)31-7-1-2-11(24)10-31/h3-6,8-9,11H,1-2,7,10,24-26H2,(H,29,32)(H,33,34).
What are the key properties of 3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid?
3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid has a molecular weight of 466.48 g/mol, XLogP of 1.72, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 140591032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).