N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide

C16H15N5O2 — CID 129071545

IUPACN-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESO=C1NCc2cc(Nc3cc(NC(=O)C4CC4)ncn3)ccc21
InChIInChI=1S/C16H15N5O2/c22-15(9-1-2-9)21-14-6-13(18-8-19-14)20-11-3-4-12-10(5-11)7-17-16(12)23/h3-6,8-9H,1-2,7H2,(H,17,23)(H2,18,19,20,21,22)
InChIKeyMIVZVCNGBMCBAA-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.81
Rot. Bonds4

About N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide

N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide (PubChem CID 129071545) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
PubChem CID129071545
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
SMILESO=C1NCc2cc(Nc3cc(NC(=O)C4CC4)ncn3)ccc21
InChIInChI=1S/C16H15N5O2/c22-15(9-1-2-9)21-14-6-13(18-8-19-14)20-11-3-4-12-10(5-11)7-17-16(12)23/h3-6,8-9H,1-2,7H2,(H,17,23)(H2,18,19,20,21,22)
InChIKeyMIVZVCNGBMCBAA-UHFFFAOYSA-N
XLogP1.81
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Benzylamino)-6-[(2-oxo-1,3-dihydroindol-5-yl)amino]pyridine-3-carboxamide
CID 137348875
N-methyl-N-(2-((2-(1-oxoisoindolin-5-ylamino)-5-(trifluoromethyl)pyrimidin-4-ylamino)methyl)phenyl)methanesulfonamide
CID 44563037
N-(4-carbamoylphenyl)-6-(cyclohexyl(cyclopropylmethyl)amino)pyrimidine-4-carboxamide
CID 25182778
N-(4'-{[(cyclopropylmethyl)amino]carbonyl}-6-methyl-1,1'-biphenyl-3-yl)-2-(dimethylamino)isonicotinamide
CID 44578671
N-(4'-{[(Cyclopropylmethyl)amino]carbonyl}-6-methyl-1,1'-biphenyl-3-yl)-2-pyrrolidin-1-ylisonicotinamide
CID 44578672
2-(cyclopropylmethylamino)-N-(4'-{[(cyclopropylmethyl)amino]carbonyl}-6-methyl-1,1'-biphenyl-3-yl)isonicotinamide
CID 44578746
N-(4'-{[(Cyclopropylmethyl)amino]carbonyl}-6-methyl-1,1'-biphenyl-3-yl)-2-(isobutylamino)isonicotinamide
CID 44578747
1-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)-3-pyrimidin-4-ylurea
CID 46908048
1-(3-methyl-2-pyridinyl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 46909508
3-[[4-(7-ethyl-8-oxo-9H-purin-6-yl)phenyl]carbamoylamino]-N-propan-2-ylbenzamide
CID 57404049
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 57509676
4-(4-Pyrimidinylamino)benzamide
CID 59225955

Frequently Asked Questions

What is the IUPAC name of N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide (CID 129071545) is N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide is O=C1NCc2cc(Nc3cc(NC(=O)C4CC4)ncn3)ccc21.
What is the InChIKey of N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide?
The InChIKey is MIVZVCNGBMCBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c22-15(9-1-2-9)21-14-6-13(18-8-19-14)20-11-3-4-12-10(5-11)7-17-16(12)23/h3-6,8-9H,1-2,7H2,(H,17,23)(H2,18,19,20,21,22).
What are the key properties of N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide?
N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide has a molecular weight of 309.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(1-oxo-2,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 129071545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).