3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide

C20H22N6O — CID 86703912

IUPAC3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESNc1ncnc2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)nc12
InChIInChI=1S/C20H22N6O/c21-19-18-17(23-13-24-19)7-6-16(25-18)14-4-3-5-15(12-14)20(27)22-8-11-26-9-1-2-10-26/h3-7,12-13H,1-2,8-11H2,(H,22,27)(H2,21,23,24)
InChIKeyPXJXWOKOFSBHSY-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.10
Rot. Bonds5

About 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide

3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 86703912) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID86703912
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESNc1ncnc2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)nc12
InChIInChI=1S/C20H22N6O/c21-19-18-17(23-13-24-19)7-6-16(25-18)14-4-3-5-15(12-14)20(27)22-8-11-26-9-1-2-10-26/h3-7,12-13H,1-2,8-11H2,(H,22,27)(H2,21,23,24)
InChIKeyPXJXWOKOFSBHSY-UHFFFAOYSA-N
XLogP2.10
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-aminopyrimidin-4-yl)-N-(2-piperidin-1-ylethyl)benzamide
CID 118760625
3-amino-N-(2-pyrrolidin-1-ylethyl)benzamide;dihydrochloride
CID 119834336
3-[2-[2-(3,5-difluorophenyl)ethylamino]pyrimidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 58103263
3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682573
3-[3-(dimethylamino)pyrazin-2-yl]-N-(2-piperidin-1-ylethyl)benzamide
CID 50847599
3-[2-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 58103516
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
6-[3-(2-morpholin-4-ylethylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 121495695
3-(3-amino-1-phenyl-2H-pyrazin-6-yl)-N-(2-piperidin-1-ylethyl)benzamide
CID 150607332
3-methyl-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride
CID 126477808
1-[2-[[3-(6-cyano-2-pyridinyl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 121496561
3-[6-[2-(2,3-dimethoxyphenyl)ethoxy]-2-pyridinyl]benzoic acid;3-[6-[2-(2,3-dimethoxyphenyl)ethoxy]-2-pyridinyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 67185368

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 86703912) is 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide is Nc1ncnc2ccc(-c3cccc(C(=O)NCCN4CCCC4)c3)nc12.
What is the InChIKey of 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is PXJXWOKOFSBHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c21-19-18-17(23-13-24-19)7-6-16(25-18)14-4-3-5-15(12-14)20(27)22-8-11-26-9-1-2-10-26/h3-7,12-13H,1-2,8-11H2,(H,22,27)(H2,21,23,24).
What are the key properties of 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide?
3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 362.44 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 86703912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).