formic acid;5-[[1-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid

C23H23N5O5 — CID 171330305

IUPACformic acid;5-[[1-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid
SMILESCc1nc(-c2cccnc2)ncc1C(=O)N1CCC(Cc2cncc(C(=O)O)c2)C1.O=CO
InChIInChI=1S/C22H21N5O3.CH2O2/c1-14-19(12-25-20(26-14)17-3-2-5-23-10-17)21(28)27-6-4-15(13-27)7-16-8-18(22(29)30)11-24-9-16;2-1-3/h2-3,5,8-12,15H,4,6-7,13H2,1H3,(H,29,30);1H,(H,2,3)
InChIKeyUZYNQMGKXWXOBE-UHFFFAOYSA-N
MW449.47 g/mol
LogP2.35
Rot. Bonds5

About formic acid;5-[[1-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid

formic acid;5-[[1-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid (PubChem CID 171330305) has the molecular formula C23H23N5O5 and a molecular weight of 449.47 g/mol. Its IUPAC name is formic acid;5-[[1-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Nameformic acid;5-[[1-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid
PubChem CID171330305
Molecular FormulaC23H23N5O5
Molecular Weight449.47 g/mol
Exact Mass449.17
IUPAC Nameformic acid;5-[[1-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid
SMILESCc1nc(-c2cccnc2)ncc1C(=O)N1CCC(Cc2cncc(C(=O)O)c2)C1.O=CO
InChIInChI=1S/C22H21N5O3.CH2O2/c1-14-19(12-25-20(26-14)17-3-2-5-23-10-17)21(28)27-6-4-15(13-27)7-16-8-18(22(29)30)11-24-9-16;2-1-3/h2-3,5,8-12,15H,4,6-7,13H2,1H3,(H,29,30);1H,(H,2,3)
InChIKeyUZYNQMGKXWXOBE-UHFFFAOYSA-N
XLogP2.35
TPSA146.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;5-[[1-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

(3-aminoazepan-1-yl)-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 70767205
[(3R,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 72895677
(3R,4S)-3-hydroxy-1-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 163306068
[4-[(1R)-1-(dimethylamino)ethyl]piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97193736
[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97271958
pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 110258714
[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-(4-methyl-2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 91771542
1-[2-[1-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 72939622
pyridin-3-yl-[3-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-1-yl]methanone
CID 110258466
(4-methyl-2-phenylpyrimidin-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856145
2,3-dimethyl-6-[3-(pyridin-3-ylmethyl)pyrrolidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 166619586
2-[(3S)-4-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)morpholin-3-yl]acetic acid
CID 95889304

Frequently Asked Questions

What is the IUPAC name of formic acid;5-[[1-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid?
The IUPAC name of formic acid;5-[[1-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid (CID 171330305) is formic acid;5-[[1-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for formic acid;5-[[1-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for formic acid;5-[[1-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid is Cc1nc(-c2cccnc2)ncc1C(=O)N1CCC(Cc2cncc(C(=O)O)c2)C1.O=CO.
What is the InChIKey of formic acid;5-[[1-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid?
The InChIKey is UZYNQMGKXWXOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3.CH2O2/c1-14-19(12-25-20(26-14)17-3-2-5-23-10-17)21(28)27-6-4-15(13-27)7-16-8-18(22(29)30)11-24-9-16;2-1-3/h2-3,5,8-12,15H,4,6-7,13H2,1H3,(H,29,30);1H,(H,2,3).
What are the key properties of formic acid;5-[[1-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid?
formic acid;5-[[1-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid has a molecular weight of 449.47 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;5-[[1-(4-methyl-2-pyridin-3-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 171330305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).