7-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C16H21N5O3 — CID 120803641

IUPAC7-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc(C(=O)N3CCC(C)(CN)C3)nc2n(C)c1=O
InChIInChI=1S/C16H21N5O3/c1-16(8-17)6-7-21(9-16)14(23)11-5-4-10-12(18-11)19(2)15(24)20(3)13(10)22/h4-5H,6-9,17H2,1-3H3
InChIKeyGSTRYLFLEQEKJG-UHFFFAOYSA-N
MW331.38 g/mol
LogP-0.56
Rot. Bonds2

About 7-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

7-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 120803641) has the molecular formula C16H21N5O3 and a molecular weight of 331.38 g/mol. Its IUPAC name is 7-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID120803641
Molecular FormulaC16H21N5O3
Molecular Weight331.38 g/mol
Exact Mass331.16
IUPAC Name7-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2ccc(C(=O)N3CCC(C)(CN)C3)nc2n(C)c1=O
InChIInChI=1S/C16H21N5O3/c1-16(8-17)6-7-21(9-16)14(23)11-5-4-10-12(18-11)19(2)15(24)20(3)13(10)22/h4-5H,6-9,17H2,1-3H3
InChIKeyGSTRYLFLEQEKJG-UHFFFAOYSA-N
XLogP-0.56
TPSA103.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-[3-(1-aminoethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 119595635
(3aS,6aR)-2-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120682769
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone
CID 120805641
1,3-dimethyl-7-[3-(phenoxymethyl)piperidine-1-carbonyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 86971359
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-methylquinolin-2-one
CID 120809193
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 120805659
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 120808895
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 120804363
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 120808347
N-[1-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 30854687
7-[2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
CID 120771351
3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one;hydrochloride
CID 120807790

Frequently Asked Questions

What is the IUPAC name of 7-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 120803641) is 7-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2ccc(C(=O)N3CCC(C)(CN)C3)nc2n(C)c1=O.
What is the InChIKey of 7-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is GSTRYLFLEQEKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3/c1-16(8-17)6-7-21(9-16)14(23)11-5-4-10-12(18-11)19(2)15(24)20(3)13(10)22/h4-5H,6-9,17H2,1-3H3.
What are the key properties of 7-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
7-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 331.38 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 120803641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).