1-[3-(6-aminopurin-9-yl)propanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide

C19H22N8O2 — CID 136553335

IUPAC1-[3-(6-aminopurin-9-yl)propanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide
SMILESNc1ncnc2c1ncn2CCC(=O)N1CCCC(C(=O)Nc2ccccn2)C1
InChIInChI=1S/C19H22N8O2/c20-17-16-18(23-11-22-17)27(12-24-16)9-6-15(28)26-8-3-4-13(10-26)19(29)25-14-5-1-2-7-21-14/h1-2,5,7,11-13H,3-4,6,8-10H2,(H2,20,22,23)(H,21,25,29)
InChIKeyBXMGVACNFUHOHZ-UHFFFAOYSA-N
MW394.44 g/mol
LogP1.07
Rot. Bonds5

About 1-[3-(6-aminopurin-9-yl)propanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide

1-[3-(6-aminopurin-9-yl)propanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 136553335) has the molecular formula C19H22N8O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is 1-[3-(6-aminopurin-9-yl)propanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(6-aminopurin-9-yl)propanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID136553335
Molecular FormulaC19H22N8O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC Name1-[3-(6-aminopurin-9-yl)propanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide
SMILESNc1ncnc2c1ncn2CCC(=O)N1CCCC(C(=O)Nc2ccccn2)C1
InChIInChI=1S/C19H22N8O2/c20-17-16-18(23-11-22-17)27(12-24-16)9-6-15(28)26-8-3-4-13(10-26)19(29)25-14-5-1-2-7-21-14/h1-2,5,7,11-13H,3-4,6,8-10H2,(H2,20,22,23)(H,21,25,29)
InChIKeyBXMGVACNFUHOHZ-UHFFFAOYSA-N
XLogP1.07
TPSA131.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 51927409
ethyl 3-(pyridin-2-ylcarbamoyl)piperidine-1-carboxylate
CID 46578071
3-(6-aminopurin-9-yl)-1-(2,2-difluoro-5-azaspiro[2.5]octan-5-yl)propan-1-one
CID 138058322
1-(1-methylpyrrole-2-carbonyl)-N-pyridin-2-ylpiperidine-3-carboxamide
CID 126799508
(3R)-3-N-cyclohexyl-1-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 95154562
1-[3-(4-fluorophenyl)propanoyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 110246626
(3R)-1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-N-pyridin-2-ylpiperidine-3-carboxamide
CID 51961905
N-(5-chloro-2-pyridinyl)-1-(3-indol-1-ylpropanoyl)piperidine-3-carboxamide
CID 55930887
(3R)-N-pyridin-2-yl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30784713
N-pyridin-2-yl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053443
(3S)-1-[2-(2-fluorophenoxy)acetyl]-N-pyridin-2-ylpyrrolidine-3-carboxamide
CID 92633338
1-(7-aminoheptanoyl)-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 119856461

Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-aminopurin-9-yl)propanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[3-(6-aminopurin-9-yl)propanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide (CID 136553335) is 1-[3-(6-aminopurin-9-yl)propanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[3-(6-aminopurin-9-yl)propanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[3-(6-aminopurin-9-yl)propanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide is Nc1ncnc2c1ncn2CCC(=O)N1CCCC(C(=O)Nc2ccccn2)C1.
What is the InChIKey of 1-[3-(6-aminopurin-9-yl)propanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is BXMGVACNFUHOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O2/c20-17-16-18(23-11-22-17)27(12-24-16)9-6-15(28)26-8-3-4-13(10-26)19(29)25-14-5-1-2-7-21-14/h1-2,5,7,11-13H,3-4,6,8-10H2,(H2,20,22,23)(H,21,25,29).
What are the key properties of 1-[3-(6-aminopurin-9-yl)propanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide?
1-[3-(6-aminopurin-9-yl)propanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-aminopurin-9-yl)propanoyl]-N-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 136553335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).