[1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

C17H22N6O — CID 133408361

IUPAC[1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESNc1ccc2c(N3CCC(C(=O)N4CCCC4)CC3)ncnc2n1
InChIInChI=1S/C17H22N6O/c18-14-4-3-13-15(21-14)19-11-20-16(13)22-9-5-12(6-10-22)17(24)23-7-1-2-8-23/h3-4,11-12H,1-2,5-10H2,(H2,18,19,20,21)
InChIKeyTYOJVPYCCZAKQI-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.45
Rot. Bonds2

About [1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 133408361) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is [1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID133408361
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name[1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESNc1ccc2c(N3CCC(C(=O)N4CCCC4)CC3)ncnc2n1
InChIInChI=1S/C17H22N6O/c18-14-4-3-13-15(21-14)19-11-20-16(13)22-9-5-12(6-10-22)17(24)23-7-1-2-8-23/h3-4,11-12H,1-2,5-10H2,(H2,18,19,20,21)
InChIKeyTYOJVPYCCZAKQI-UHFFFAOYSA-N
XLogP1.45
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-cyclopentylmethanone
CID 133408843
[1-(6-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286404
4-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 129344710
4-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 75434688
4-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133408364
[1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)-4-(2,2-difluoroethyl)piperidin-4-yl]methanol
CID 166307195
[1-(5-fluoroquinazolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 56816106
piperidin-1-yl-[1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidin-4-yl]methanone
CID 24792081
1-thieno[2,3-d]pyrimidin-4-ylpiperidine-4-carboxamide
CID 2098585
4-[4-(2-methoxyethyl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-7-amine
CID 133408246
pyrrolidin-1-yl-[(3S)-1-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95556169
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 84818655

Frequently Asked Questions

What is the IUPAC name of [1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 133408361) is [1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is Nc1ccc2c(N3CCC(C(=O)N4CCCC4)CC3)ncnc2n1.
What is the InChIKey of [1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is TYOJVPYCCZAKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c18-14-4-3-13-15(21-14)19-11-20-16(13)22-9-5-12(6-10-22)17(24)23-7-1-2-8-23/h3-4,11-12H,1-2,5-10H2,(H2,18,19,20,21).
What are the key properties of [1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 326.40 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-aminopyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 133408361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).