4-(cyclopropylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]pyrimidine-2-carboxamide

C22H22N6O4 — CID 167754996

IUPAC4-(cyclopropylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]pyrimidine-2-carboxamide
SMILESO=C1CCC(N2Cc3ccc(CNC(=O)c4nccc(NC5CC5)n4)cc3C2=O)C(=O)N1
InChIInChI=1S/C22H22N6O4/c29-18-6-5-16(20(30)27-18)28-11-13-2-1-12(9-15(13)22(28)32)10-24-21(31)19-23-8-7-17(26-19)25-14-3-4-14/h1-2,7-9,14,16H,3-6,10-11H2,(H,24,31)(H,23,25,26)(H,27,29,30)
InChIKeyDKVQQNWTVPBQNN-UHFFFAOYSA-N
MW434.46 g/mol
LogP0.74
Rot. Bonds6

About 4-(cyclopropylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]pyrimidine-2-carboxamide

4-(cyclopropylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]pyrimidine-2-carboxamide (PubChem CID 167754996) has the molecular formula C22H22N6O4 and a molecular weight of 434.46 g/mol. Its IUPAC name is 4-(cyclopropylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]pyrimidine-2-carboxamide
PubChem CID167754996
Molecular FormulaC22H22N6O4
Molecular Weight434.46 g/mol
Exact Mass434.17
IUPAC Name4-(cyclopropylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]pyrimidine-2-carboxamide
SMILESO=C1CCC(N2Cc3ccc(CNC(=O)c4nccc(NC5CC5)n4)cc3C2=O)C(=O)N1
InChIInChI=1S/C22H22N6O4/c29-18-6-5-16(20(30)27-18)28-11-13-2-1-12(9-15(13)22(28)32)10-24-21(31)19-23-8-7-17(26-19)25-14-3-4-14/h1-2,7-9,14,16H,3-6,10-11H2,(H,24,31)(H,23,25,26)(H,27,29,30)
InChIKeyDKVQQNWTVPBQNN-UHFFFAOYSA-N
XLogP0.74
TPSA133.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(cyclopropylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-4-oxo-1H-pyridine-3-carboxamide
CID 166425784
3-[5-[[[2-(aminomethyl)pyrimidin-4-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167717072
3-[5-[[(4-amino-2-pyridinyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167723792
N-[[4-(aminomethyl)phenyl]methyl]-2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindole-5-carboxamide
CID 166426269
3-[5-[[(2-amino-4-pyridinyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167721264
3-[3-oxo-5-[(quinolin-4-ylamino)methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166426797
(3-methoxycyclobutyl) N-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-3-oxo-1H-isoindol-5-yl]methyl]carbamate
CID 175885219
[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methylurea
CID 131740402
N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-4-indazol-1-ylbenzamide
CID 167780032
3-[3-oxo-5-[[[(3R)-piperidin-3-yl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740508
1-(6-cyano-3-pyridinyl)-3-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]urea
CID 167786534
3-[5-[[[5-(aminomethyl)-1H-pyrazol-3-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167724757

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]pyrimidine-2-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]pyrimidine-2-carboxamide (CID 167754996) is 4-(cyclopropylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]pyrimidine-2-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]pyrimidine-2-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]pyrimidine-2-carboxamide is O=C1CCC(N2Cc3ccc(CNC(=O)c4nccc(NC5CC5)n4)cc3C2=O)C(=O)N1.
What is the InChIKey of 4-(cyclopropylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]pyrimidine-2-carboxamide?
The InChIKey is DKVQQNWTVPBQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O4/c29-18-6-5-16(20(30)27-18)28-11-13-2-1-12(9-15(13)22(28)32)10-24-21(31)19-23-8-7-17(26-19)25-14-3-4-14/h1-2,7-9,14,16H,3-6,10-11H2,(H,24,31)(H,23,25,26)(H,27,29,30).
What are the key properties of 4-(cyclopropylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]pyrimidine-2-carboxamide?
4-(cyclopropylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]pyrimidine-2-carboxamide has a molecular weight of 434.46 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 167754996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).