4-[2-amino-4-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide

C22H24N6O — CID 95806446

IUPAC4-[2-amino-4-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCN(Cc3ccncc3)C2)cc1
InChIInChI=1S/C22H24N6O/c23-21(29)17-5-3-16(4-6-17)19-12-26-22(24)27-20(19)18-2-1-11-28(14-18)13-15-7-9-25-10-8-15/h3-10,12,18H,1-2,11,13-14H2,(H2,23,29)(H2,24,26,27)/t18-/m1/s1
InChIKeyZAMIOBQTWYYTEH-GOSISDBHSA-N
MW388.48 g/mol
LogP2.60
Rot. Bonds5

About 4-[2-amino-4-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide

4-[2-amino-4-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide (PubChem CID 95806446) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 4-[2-amino-4-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-amino-4-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
PubChem CID95806446
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name4-[2-amino-4-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
SMILESNC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCN(Cc3ccncc3)C2)cc1
InChIInChI=1S/C22H24N6O/c23-21(29)17-5-3-16(4-6-17)19-12-26-22(24)27-20(19)18-2-1-11-28(14-18)13-15-7-9-25-10-8-15/h3-10,12,18H,1-2,11,13-14H2,(H2,23,29)(H2,24,26,27)/t18-/m1/s1
InChIKeyZAMIOBQTWYYTEH-GOSISDBHSA-N
XLogP2.60
TPSA111.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-amino-4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 110248794
4-[2-amino-4-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 110248773
4-[2-amino-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 95806424
3-[2-amino-4-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 110248793
5-(4-fluorophenyl)-4-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 95806391
2-methyl-5-pyridin-4-yl-4-[1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidine
CID 110213955
4-[2-(dimethylamino)-4-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 92618065
[(3S)-3-[2-amino-5-(4-chlorophenyl)pyrimidin-4-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95806520
4-[2-(dimethylamino)-4-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 92618063
3-[2-amino-4-[(3S)-1-[2-(azepan-1-yl)acetyl]piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 95806633
5-(3-fluorophenyl)-4-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 110248800
3-[2-amino-4-[1-(2-phenylmethoxyethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide
CID 110254010

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide?
The IUPAC name of 4-[2-amino-4-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide (CID 95806446) is 4-[2-amino-4-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-[2-amino-4-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide?
The canonical SMILES for 4-[2-amino-4-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide is NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCCN(Cc3ccncc3)C2)cc1.
What is the InChIKey of 4-[2-amino-4-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide?
The InChIKey is ZAMIOBQTWYYTEH-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24N6O/c23-21(29)17-5-3-16(4-6-17)19-12-26-22(24)27-20(19)18-2-1-11-28(14-18)13-15-7-9-25-10-8-15/h3-10,12,18H,1-2,11,13-14H2,(H2,23,29)(H2,24,26,27)/t18-/m1/s1.
What are the key properties of 4-[2-amino-4-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide?
4-[2-amino-4-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide has a molecular weight of 388.48 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-[(3R)-1-(pyridin-4-ylmethyl)piperidin-3-yl]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 95806446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).