3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide

C23H25FN6O — CID 25051618

IUPAC3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(F)c(-c2ccc(N)c(C(=O)Nc3cnccc3N3CCC[C@H](N)C3)n2)c1
InChIInChI=1S/C23H25FN6O/c1-14-4-5-17(24)16(11-14)19-7-6-18(26)22(28-19)23(31)29-20-12-27-9-8-21(20)30-10-2-3-15(25)13-30/h4-9,11-12,15H,2-3,10,13,25-26H2,1H3,(H,29,31)/t15-/m0/s1
InChIKeyUSGPAFSBXHIMRE-HNNXBMFYSA-N
MW420.49 g/mol
LogP3.35
Rot. Bonds4

About 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide

3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide (PubChem CID 25051618) has the molecular formula C23H25FN6O and a molecular weight of 420.49 g/mol. Its IUPAC name is 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
PubChem CID25051618
Molecular FormulaC23H25FN6O
Molecular Weight420.49 g/mol
Exact Mass420.21
IUPAC Name3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(F)c(-c2ccc(N)c(C(=O)Nc3cnccc3N3CCC[C@H](N)C3)n2)c1
InChIInChI=1S/C23H25FN6O/c1-14-4-5-17(24)16(11-14)19-7-6-18(26)22(28-19)23(31)29-20-12-27-9-8-21(20)30-10-2-3-15(25)13-30/h4-9,11-12,15H,2-3,10,13,25-26H2,1H3,(H,29,31)/t15-/m0/s1
InChIKeyUSGPAFSBXHIMRE-HNNXBMFYSA-N
XLogP3.35
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide (CID 25051618) is 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide is Cc1ccc(F)c(-c2ccc(N)c(C(=O)Nc3cnccc3N3CCC[C@H](N)C3)n2)c1.
What is the InChIKey of 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide?
The InChIKey is USGPAFSBXHIMRE-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H25FN6O/c1-14-4-5-17(24)16(11-14)19-7-6-18(26)22(28-19)23(31)29-20-12-27-9-8-21(20)30-10-2-3-15(25)13-30/h4-9,11-12,15H,2-3,10,13,25-26H2,1H3,(H,29,31)/t15-/m0/s1.
What are the key properties of 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide?
3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-6-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 25051618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).