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

C22H22F2N8O3 — CID 140591031

IUPAC3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-3-fluoro-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid
SMILESNc1cc(F)c(-c2nc(C(=O)Nc3cnccc3N3CCCC(N)C3)c(N)cc2F)nc1C(=O)O
InChIInChI=1S/C22H22F2N8O3/c23-11-6-13(26)19(30-17(11)18-12(24)7-14(27)20(31-18)22(34)35)21(33)29-15-8-28-4-3-16(15)32-5-1-2-10(25)9-32/h3-4,6-8,10H,1-2,5,9,25-27H2,(H,29,33)(H,34,35)
InChIKeySILUIIBXTDMRPC-UHFFFAOYSA-N
MW484.47 g/mol
LogP1.86
Rot. Bonds5

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

3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-3-fluoro-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid (PubChem CID 140591031) has the molecular formula C22H22F2N8O3 and a molecular weight of 484.47 g/mol. Its IUPAC name is 3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-3-fluoro-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-3-fluoro-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid
PubChem CID140591031
Molecular FormulaC22H22F2N8O3
Molecular Weight484.47 g/mol
Exact Mass484.18
IUPAC Name3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-3-fluoro-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid
SMILESNc1cc(F)c(-c2nc(C(=O)Nc3cnccc3N3CCCC(N)C3)c(N)cc2F)nc1C(=O)O
InChIInChI=1S/C22H22F2N8O3/c23-11-6-13(26)19(30-17(11)18-12(24)7-14(27)20(31-18)22(34)35)21(33)29-15-8-28-4-3-16(15)32-5-1-2-10(25)9-32/h3-4,6-8,10H,1-2,5,9,25-27H2,(H,29,33)(H,34,35)
InChIKeySILUIIBXTDMRPC-UHFFFAOYSA-N
XLogP1.86
TPSA186.37 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.47
LogP ≤ 51.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

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Related Compounds

3-amino-N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-6-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]-5-fluoropyridine-2-carboxamide
CID 60172565
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]-3-fluoro-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]-3-fluoro-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid (CID 140591031) is 3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-3-fluoro-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]-3-fluoro-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]-3-fluoro-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid is Nc1cc(F)c(-c2nc(C(=O)Nc3cnccc3N3CCCC(N)C3)c(N)cc2F)nc1C(=O)O.
What is the InChIKey of 3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-3-fluoro-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid?
The InChIKey is SILUIIBXTDMRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N8O3/c23-11-6-13(26)19(30-17(11)18-12(24)7-14(27)20(31-18)22(34)35)21(33)29-15-8-28-4-3-16(15)32-5-1-2-10(25)9-32/h3-4,6-8,10H,1-2,5,9,25-27H2,(H,29,33)(H,34,35).
What are the key properties of 3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-3-fluoro-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid?
3-amino-6-[5-amino-6-[[4-(3-aminopiperidin-1-yl)-3-pyridinyl]carbamoyl]-3-fluoro-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid has a molecular weight of 484.47 g/mol, XLogP of 1.86, 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]-3-fluoro-2-pyridinyl]-5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 140591031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).