2-[3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide

C21H23FN6O — CID 110264753

IUPAC2-[3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCc1nc(N)c2ccc(C3CCCN(CC(=O)Nc4ccccc4F)C3)nc2n1
InChIInChI=1S/C21H23FN6O/c1-13-24-20(23)15-8-9-17(27-21(15)25-13)14-5-4-10-28(11-14)12-19(29)26-18-7-3-2-6-16(18)22/h2-3,6-9,14H,4-5,10-12H2,1H3,(H,26,29)(H2,23,24,25,27)
InChIKeyMFTVHRQUAQZFDV-UHFFFAOYSA-N
MW394.45 g/mol
LogP2.87
Rot. Bonds4

About 2-[3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide

2-[3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide (PubChem CID 110264753) has the molecular formula C21H23FN6O and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-[3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
PubChem CID110264753
Molecular FormulaC21H23FN6O
Molecular Weight394.45 g/mol
Exact Mass394.19
IUPAC Name2-[3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
SMILESCc1nc(N)c2ccc(C3CCCN(CC(=O)Nc4ccccc4F)C3)nc2n1
InChIInChI=1S/C21H23FN6O/c1-13-24-20(23)15-8-9-17(27-21(15)25-13)14-5-4-10-28(11-14)12-19(29)26-18-7-3-2-6-16(18)22/h2-3,6-9,14H,4-5,10-12H2,1H3,(H,26,29)(H2,23,24,25,27)
InChIKeyMFTVHRQUAQZFDV-UHFFFAOYSA-N
XLogP2.87
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
N-(2-fluorophenyl)-2-[(3S)-3-[5-[(4-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]acetamide
CID 92615559
N-(2-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919928
2-[3-(1-aminoethyl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 63848548
N-(2-fluorophenyl)-3-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]propanamide
CID 96542307
2-[3-(4-amino-2-phenylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 110264752
2-[(3R)-3-aminopyrrolidin-1-yl]-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119905386
2-(3-aminopyrrolidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119917633
N-tert-butyl-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 166601926
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-fluorophenyl)acetamide
CID 22194026
2-(4-amino-3-methylpiperidin-1-yl)-N-(2-fluorophenyl)acetamide;hydrochloride
CID 119925182
N-(2-fluorophenyl)-2-[(3S)-3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]acetamide
CID 92625639

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide?
The IUPAC name of 2-[3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide (CID 110264753) is 2-[3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide.
What is the SMILES notation for 2-[3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide?
The canonical SMILES for 2-[3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide is Cc1nc(N)c2ccc(C3CCCN(CC(=O)Nc4ccccc4F)C3)nc2n1.
What is the InChIKey of 2-[3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide?
The InChIKey is MFTVHRQUAQZFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O/c1-13-24-20(23)15-8-9-17(27-21(15)25-13)14-5-4-10-28(11-14)12-19(29)26-18-7-3-2-6-16(18)22/h2-3,6-9,14H,4-5,10-12H2,1H3,(H,26,29)(H2,23,24,25,27).
What are the key properties of 2-[3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide?
2-[3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide has a molecular weight of 394.45 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-amino-2-methylpyrido[2,3-d]pyrimidin-7-yl)piperidin-1-yl]-N-(2-fluorophenyl)acetamide is sourced from PubChem (CID 110264753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).