6-[2-(aminomethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione

C14H17N5O3 — CID 119469220

IUPAC6-[2-(aminomethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESNCC1CCCCN1C(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C14H17N5O3/c15-6-9-3-1-2-4-19(9)13(21)8-5-10-11(16-7-8)17-14(22)18-12(10)20/h5,7,9H,1-4,6,15H2,(H2,16,17,18,20,22)
InChIKeyRGSKTWBYPHFWSD-UHFFFAOYSA-N
MW303.32 g/mol
LogP-0.44
Rot. Bonds2

About 6-[2-(aminomethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione

6-[2-(aminomethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 119469220) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 6-[2-(aminomethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(aminomethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID119469220
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name6-[2-(aminomethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESNCC1CCCCN1C(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1
InChIInChI=1S/C14H17N5O3/c15-6-9-3-1-2-4-19(9)13(21)8-5-10-11(16-7-8)17-14(22)18-12(10)20/h5,7,9H,1-4,6,15H2,(H2,16,17,18,20,22)
InChIKeyRGSKTWBYPHFWSD-UHFFFAOYSA-N
XLogP-0.44
TPSA124.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 95603781
6-(2-naphthalen-1-ylpyrrolidine-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 154835826
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone;dihydrochloride
CID 119634595
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride
CID 119631996
6-(4-propylazepane-1-carbonyl)-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 49065313
[2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736898
(3aS,6aR)-2-(2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683028
[2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104671337
[2-(aminomethyl)azepan-1-yl]-(1H-pyrazol-4-yl)methanone
CID 116639948
[2-(aminomethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 55210990
[2-(aminomethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 115312082
6-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 55823427

Frequently Asked Questions

What is the IUPAC name of 6-[2-(aminomethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(aminomethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 119469220) is 6-[2-(aminomethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(aminomethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(aminomethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione is NCC1CCCCN1C(=O)c1cnc2[nH]c(=O)[nH]c(=O)c2c1.
What is the InChIKey of 6-[2-(aminomethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is RGSKTWBYPHFWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c15-6-9-3-1-2-4-19(9)13(21)8-5-10-11(16-7-8)17-14(22)18-12(10)20/h5,7,9H,1-4,6,15H2,(H2,16,17,18,20,22).
What are the key properties of 6-[2-(aminomethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
6-[2-(aminomethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 303.32 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(aminomethyl)piperidine-1-carbonyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 119469220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).